Geometry & MOs

Info

ID:	447858
PubChem CID:	135286391
Reduced:	FOSN8C24H29 (1)
Stoich.:	ABCD8E24F29 (1)
Weight, g/mol:	466.121195
ΔH_f, kcal/mol:	0.93
Dipole, Da:	8.48
IP(EA), eV:	-8.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC2CCCC2)C3=NC(=NC=C3F)NC4=NC=C(C=C4)N5CCN(CC5)C(=O)C

DOS

IR

Vibrations