Geometry & MOs

Info

ID:	446950
PubChem CID:	135279049
Reduced:	SN3O3C25H33 (1)
Stoich.:	AB3C3D25E33 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	10.12
IP(EA), eV:	-8.55(-0.97)
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-methylcyclohexyl)aniline

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)CC)C3=C4C=CN=C4N(C(=C3)C)O

DOS

IR

Vibrations