Geometry & MOs

Info

ID:	195430
PubChem CID:	78684434
Reduced:	O2N3S3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	407.994002
ΔH_f, kcal/mol:	23.34
Dipole, Da:	1.44
IP(EA), eV:	-8.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations