Geometry & MOs

Info

ID:	85126
PubChem CID:	49871976
Reduced:	ClSN4O4C22H25 (1)
Stoich.:	ABC4D4E22F25 (1)
Weight, g/mol:	523.269573
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	3.7
IP(EA), eV:	-9.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxycyclohexyl)amino]-4-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=C(C=C(C=C1C)C2=NOC(=N2)C3=CC(=NC(=C3)OC)C4CCCC4)Cl

DOS

IR

Vibrations