Geometry & MOs

Info

ID:	426741
PubChem CID:	135153665
Reduced:	OSN3F4H9C16 (1)
Stoich.:	ABC3D4E9F16 (1)
Weight, g/mol:	366.973075
ΔH_f, kcal/mol:	-124.78
Dipole, Da:	3.73
IP(EA), eV:	-9.41(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-[3-(fluoromethylsulfonyl)phenyl]thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(N=NS2)C(F)F)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations