Geometry & MOs

Info

ID:	447914
PubChem CID:	135286750
Reduced:	SO2N7H27C30 (1)
Stoich.:	AB2C7D27E30 (1)
Weight, g/mol:	413.085893
ΔH_f, kcal/mol:	133.38
Dipole, Da:	6.84
IP(EA), eV:	-8.88(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-5-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN7CCCC7)/C=C23

DOS

IR

Vibrations