Geometry & MOs

Info

ID:	141577
PubChem CID:	52895391
Reduced:	SCl2O3N4H16C17 (1)
Stoich.:	AB2C3D4E16F17 (1)
Weight, g/mol:	474.266462
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	1.56
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-N,N,1-triethylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations