Geometry & MOs

Info

ID:	56101
PubChem CID:	17404397
Reduced:	NSCl2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	388.10614
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	4.76
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations