Geometry & MOs

Info

ID:	275772
PubChem CID:	103817569
Reduced:	N5C10H17 (1)
Stoich.:	A5B10C17 (1)
Weight, g/mol:	378.96018
ΔH_f, kcal/mol:	34.44
Dipole, Da:	1.94
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=NC=CN=C2N

DOS

IR

Vibrations