Geometry & MOs

Info

ID:	235064
PubChem CID:	92303972
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	6.79
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S[C@H](C)C(=O)OCC

DOS

IR

Vibrations