Geometry & MOs

Info

ID:	444206
PubChem CID:	135261705
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	637.227137
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	1.99
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=CC2=NC=C(C=C2C=C1OCCCCCO)N

DOS

IR

Vibrations