Geometry & MOs

Info

ID:	235036
PubChem CID:	92303925
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	402.191898
ΔH_f, kcal/mol:	-21.05
Dipole, Da:	6.02
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(7-ethyl-1H-indol-3-yl)-N-propyl-3-[2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations