Geometry & MOs

Info

ID:	38507
PubChem CID:	8136937
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	405.055005
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	6.64
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations