Geometry & MOs

Info

ID:	403702
PubChem CID:	135061472
Reduced:	N2C25H26 (1)
Stoich.:	A2B25C26 (1)
Weight, g/mol:	366.067428
ΔH_f, kcal/mol:	67.29
Dipole, Da:	5.01
IP(EA), eV:	-8.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCC1=C(N(C2=C1C=CN=C2)CC3=CC=CC=C3)C4=CC=CC(=C4)C

DOS

IR

Vibrations