Geometry & MOs

Info

ID:	64356
PubChem CID:	29199268
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-77.04
Dipole, Da:	2.32
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N(C)C1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations