Geometry & MOs

Info

ID:	195426
PubChem CID:	78684430
Reduced:	O2N3S3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	401.069026
ΔH_f, kcal/mol:	21.17
Dipole, Da:	3.4
IP(EA), eV:	-8.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN(C(=S)S2)C3=CC=CC=C3

DOS

IR

Vibrations