Geometry & MOs

Info

ID:	138105
PubChem CID:	52315366
Reduced:	N2O2F3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-226.95
Dipole, Da:	8.18
IP(EA), eV:	-9.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC(=C1)CNC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations