Geometry & MOs

Info

ID:	195422
PubChem CID:	78684426
Reduced:	N3O3S3C13H13 (1)
Stoich.:	A3B3C3D13E13 (1)
Weight, g/mol:	418.095575
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	4.83
IP(EA), eV:	-8.85(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-N-methyl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)OC)SC1=NN(C(=S)S1)C2=CC=CC=C2

DOS

IR

Vibrations