Geometry & MOs

Info

ID:

297714

PubChem CID:

117626652

Reduced:

SN7O13C51H69 (1)

Stoich.:

AB7C13D51E69 (1)

Weight, g/mol:

483.219178

ΔHf, kcal/mol:

-431.04

Dipole, Da:

6.16

IP(EA), eV:

 -8.32(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-5-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC5=CC(=CC(=C5)C(=O)NCCOCCOCCCCCOCCOCCOCCOC)OC

DOS

IR

Vibrations