Geometry & MOs

Info

ID:	154691
PubChem CID:	56314184
Reduced:	FNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	463.18421
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	3.71
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations