Geometry & MOs

Info

ID:	194799
PubChem CID:	78591183
Reduced:	OS2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	402.098432
ΔH_f, kcal/mol:	46.4
Dipole, Da:	2.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033664
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CS3

DOS

IR

Vibrations