Geometry & MOs

Info

ID:	426638
PubChem CID:	135153068
Reduced:	N3C25H29 (1)
Stoich.:	A3B25C29 (1)
Weight, g/mol:	338.985623
ΔH_f, kcal/mol:	63.63
Dipole, Da:	3.45
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC(C2(C)C)(C)C)C3=CC4=C(C=CN=C4C=C3)N(C)C

DOS

IR

Vibrations