Geometry & MOs

Info

ID:	195429
PubChem CID:	78684433
Reduced:	FON3S3H14C17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	417.06394
ΔH_f, kcal/mol:	21.1
Dipole, Da:	2.04
IP(EA), eV:	-8.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)F)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations