Geometry & MOs

Info

ID:	132972
PubChem CID:	51455731
Reduced:	ClSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	438.071959
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6S,7S)-3-(acetyloxymethyl)-7-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)COC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations