Geometry & MOs

Info

ID:	444092
PubChem CID:	135261305
Reduced:	ON8H28C31 (1)
Stoich.:	AB8C28D31 (1)
Weight, g/mol:	384.005944
ΔH_f, kcal/mol:	154.58
Dipole, Da:	11.11
IP(EA), eV:	-8.72(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=NC=C7)/NN4

DOS

IR

Vibrations