Geometry & MOs

Info

ID:	139529
PubChem CID:	52550114
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	374.070321
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	1.84
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)[C@@H]3CC(=O)NC4=CC=CC=C34)C

DOS

IR

Vibrations