Geometry & MOs

Info

ID:	147804
PubChem CID:	53787462
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	508.178041
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	2.55
IP(EA), eV:	-9.67(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1-hydroxyethyl]-N,N-diethyl-2-methoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=NC(C(=O)O1)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations