Geometry & MOs

Info

ID:	195428
PubChem CID:	78684432
Reduced:	O2N3S3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	391.028304
ΔH_f, kcal/mol:	30.61
Dipole, Da:	2.58
IP(EA), eV:	-8.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations