Geometry & MOs

Info

ID:	426719
PubChem CID:	135153533
Reduced:	ClOS2F3N4H14C15 (1)
Stoich.:	ABC2D3E4F14G15 (1)
Weight, g/mol:	347.036246
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	2.84
IP(EA), eV:	-8.9(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-difluorophenyl)phenyl]-4-methylthiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C1CSCCN1CC2=C(SN=N2)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations