Geometry & MOs

Info

ID:	189643
PubChem CID:	77884837
Reduced:	N2S2O5C11H16 (1)
Stoich.:	A2B2C5D11E16 (1)
Weight, g/mol:	560.080234
ΔH_f, kcal/mol:	-192.23
Dipole, Da:	3.17
IP(EA), eV:	-9.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-[[2-[3-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1(CN2C(C(C2=O)(N)SC)SC1)C(=O)O

DOS

IR

Vibrations