Geometry & MOs

Info

ID:	226288
PubChem CID:	87350374
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	438.116682
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	5.87
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methylpyridin-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C=CC(=C2)N3CC(OC3=O)CCS(=O)(=O)O

DOS

IR

Vibrations