Geometry & MOs

Info

ID:	388978
PubChem CID:	134990793
Reduced:	SN4O8C31H40 (1)
Stoich.:	AB4C8D31E40 (1)
Weight, g/mol:	620.042945
ΔH_f, kcal/mol:	-331.91
Dipole, Da:	3.37
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(S1)N(C)CC2=CC3=C(C=C2)N=C(N(C3=O)COC(=O)C(C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(S1)N(C)CC2=CC3=C(C=C2)N=C(N(C3=O)COC(=O)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):