Geometry & MOs

Info

ID:	148870
PubChem CID:	53788540
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	501.0842
ΔH_f, kcal/mol:	-32.02
Dipole, Da:	4.39
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5R,6R,7R)-3,5,8-trioxo-7-[(2-phenoxyacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)OC2=CC=CC=C2O

DOS

IR

Vibrations