Geometry & MOs

Info

ID:	151636
PubChem CID:	56242104
Reduced:	SO2N4H16C21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	467.113601
ΔH_f, kcal/mol:	52.72
Dipole, Da:	5.28
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-piperidin-1-ylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC4=NC=CC=N4

DOS

IR

Vibrations