Geometry & MOs

Info

ID:	146558
PubChem CID:	53705440
Reduced:	NS3O5H13C15 (1)
Stoich.:	AB3C5D13E15 (1)
Weight, g/mol:	602.147135
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	8.27
IP(EA), eV:	-8.99(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (6S)-3-acetamido-7-[(4-nitrophenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C=C=CC2=C(N(C(=S)S2)CC(=O)O)O

DOS

IR

Vibrations