Geometry & MOs

Info

ID:	195427
PubChem CID:	78684431
Reduced:	ON3S3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	403.04829
ΔH_f, kcal/mol:	59.58
Dipole, Da:	6.51
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations