Geometry & MOs

Info

ID:	158055
PubChem CID:	56459445
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	5.31
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations