Geometry & MOs

Info

ID:	34135
PubChem CID:	7889990
Reduced:	N2O2F3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	384.093306
ΔH_f, kcal/mol:	-211.84
Dipole, Da:	6.2
IP(EA), eV:	-9.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxy-4-nitrophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#N)NC(=O)COC1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations