Geometry & MOs

Info

ID:	64349
PubChem CID:	29199236
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	453.232422
ΔH_f, kcal/mol:	-157.36
Dipole, Da:	4.71
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations