Geometry & MOs

Info

ID:	446949
PubChem CID:	135279037
Reduced:	N2O9C34H72 (1)
Stoich.:	A2B9C34D72 (1)
Weight, g/mol:	455.224263
ΔH_f, kcal/mol:	-468.44
Dipole, Da:	1.4
IP(EA), eV:	-8.57(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-propylcyclohexyl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)N(CCOCCOCCOCCOC(C)(C)C)CC(C)(C)NCCOCCOCCOCCOCCOC(C)(C)C

DOS

IR

Vibrations