Geometry & MOs

Info

ID:	195425
PubChem CID:	78684429
Reduced:	O2N3S3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	417.06394
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	0.91
IP(EA), eV:	-8.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC)SC1=NN(C(=S)S1)C2=CC=CC=C2

DOS

IR

Vibrations