Geometry & MOs

Info

ID:	184991
PubChem CID:	77238591
Reduced:	ClSO2N6C28H37 (1)
Stoich.:	ABC2D6E28F37 (1)
Weight, g/mol:	503.164555
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	2.16
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-oxoazepan-3-yl)-N-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CN1C2C(C(=O)NCN2)NC1C34CC5CC(C3)CC(C5)(C4)NCC6=NC=CS6)OC7=CC=C(C=C7)Cl

DOS

IR

Vibrations