Geometry & MOs

Info

ID:

448218

PubChem CID:

135289353

Reduced:

OSF2N6H24C30 (1)

Stoich.:

ABC2D6E24F30 (1)

Weight, g/mol:

517.13726

ΔHf, kcal/mol:

50.13

Dipole, Da:

10.21

IP(EA), eV:

 -8.52(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(5-fluorothiophen-2-yl)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)NN4)/C=C32

DOS

IR

Vibrations