Geometry & MOs

Info

ID:	426709
PubChem CID:	135153496
Reduced:	F3N3S3H12C13 (1)
Stoich.:	A3B3C3D12E13 (1)
Weight, g/mol:	306.986102
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	2.33
IP(EA), eV:	-9.15(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-(2,6-difluorophenyl)thiadiazole-5-carbothioamide

Drug info:

PubChemData

Smile

CC(C)C1=C(SN=N1)C(=S)NC2=CC(=CC=C2)SC(F)(F)F

DOS

IR

Vibrations