Geometry & MOs

Info

ID:	188721
PubChem CID:	77759038
Reduced:	NSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	5.27
IP(EA), eV:	-9.82(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)CC(C(=O)O)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations