Geometry & MOs

Info

ID:	446914
PubChem CID:	135278755
Reduced:	BrFSN3O4H19C22 (1)
Stoich.:	ABCD3E4F19G22 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	7.92
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)Br)F)C3=C4C=CN=C4N(C(=C3)C)O

DOS

IR

Vibrations