Geometry & MOs

Info

ID:	234937
PubChem CID:	92303747
Reduced:	ON2F3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	388.176248
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	5.29
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-butan-2-yl]-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C[C@@H](C1=CC(=CC=C1)C(F)(F)F)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations