Geometry & MOs

Info

ID:	309031
PubChem CID:	126535079
Reduced:	SN6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	532.204531
ΔH_f, kcal/mol:	85.56
Dipole, Da:	6.17
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(5-methylthiophen-2-yl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2CCCC2)C3=NC(=NC=C3)NC4=CC=CC=N4

DOS

IR

Vibrations