Geometry & MOs

Info

ID:	138865
PubChem CID:	52435814
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	7.34
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations