Geometry & MOs

Info

ID:	234972
PubChem CID:	92303808
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	5.03
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations