Geometry & MOs

Info

ID:	426760
PubChem CID:	135153744
Reduced:	F3N3S3H8C11 (1)
Stoich.:	A3B3C3D8E11 (1)
Weight, g/mol:	410.93225
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	1.22
IP(EA), eV:	-9.19(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-5-methylphenyl)-4-(trifluoromethylsulfanylmethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=S)NC2=CC(=CC=C2)SC(F)(F)F

DOS

IR

Vibrations