Geometry & MOs

Info

ID:	235053
PubChem CID:	92303954
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	3.13
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H](SCC2=O)C3=CC=CC=C3NC(=O)C4CC4

DOS

IR

Vibrations