Geometry & MOs

Info

ID:	447867
PubChem CID:	135286448
Reduced:	FSO2N8C22H29 (1)
Stoich.:	ABC2D8E22F29 (1)
Weight, g/mol:	539.186987
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	5.26
IP(EA), eV:	-8.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(2-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=NC=C(C=C3)N4CCN(CC4)CCOCCO

DOS

IR

Vibrations