Geometry & MOs

Info

ID:	147931
PubChem CID:	53787591
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	447.084869
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	3.0
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(6-aminopyridin-2-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=CC3=C(C(=C2)O)NC(=O)CC3)C

DOS

IR

Vibrations