Geometry & MOs

Info

ID:	426684
PubChem CID:	135153338
Reduced:	F3N3S3H8C11 (1)
Stoich.:	A3B3C3D8E11 (1)
Weight, g/mol:	418.92468
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	4.08
IP(EA), eV:	-8.77(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(difluoromethylsulfonyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)NC(=S)C2=C(N=NS2)C(F)F)F

DOS

IR

Vibrations