Geometry & MOs

Info

ID:	176576
PubChem CID:	76067934
Reduced:	N4O6C21H24 (1)
Stoich.:	A4B6C21D24 (1)
Weight, g/mol:	541.033051
ΔH_f, kcal/mol:	-197.4
Dipole, Da:	3.89
IP(EA), eV:	-9.5(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-ethylthiadiazol-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic 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

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C=CC1=CC=C(C=C1)N2C=CN=C2

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

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C=CC1=CC=C(C=C1)N2C=CN=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):