Geometry & MOs

Info

ID:	131494
PubChem CID:	51214340
Reduced:	FNSO2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	4.2
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations