Geometry & MOs

Info

ID:	146583
PubChem CID:	53707988
Reduced:	Cl2O2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	584.172304
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	5.21
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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

CCCN=C(N)NC(=O)N(C)C1=C(C=C(C=C1Cl)OCC2=CC=CC=C2)Cl

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

CCCN=C(N)NC(=O)N(C)C1=C(C=C(C=C1Cl)OCC2=CC=CC=C2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):