Geometry & MOs

Info

ID:	49859
PubChem CID:	11533972
Reduced:	NO6C33H35 (1)
Stoich.:	AB6C33D35 (1)
Weight, g/mol:	541.239913
ΔH_f, kcal/mol:	-169.13
Dipole, Da:	3.04
IP(EA), eV:	-8.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopent-2-en-1-yl-N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4

DOS

IR

Vibrations