Geometry & MOs

Info

ID:

189636

PubChem CID:

77883404

Reduced:

SN3O8H45C49 (1)

Stoich.:

AB3C8D45E49 (1)

Weight, g/mol:

454.098077

ΔHf, kcal/mol:

-173.28

Dipole, Da:

3.73

IP(EA), eV:

 -9.47(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[acetyl(thiophen-2-yl)amino]-3-[[(2-ethoxy-2-oxoethyl)hydrazinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CC(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations