Geometry & MOs

Info

ID:

441640

PubChem CID:

135238256

Reduced:

FO3N4H25C27 (1)

Stoich.:

AB3C4D25E27 (1)

Weight, g/mol:

625.246549

ΔHf, kcal/mol:

-71.9

Dipole, Da:

6.59

IP(EA), eV:

 -8.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]-5-methoxyphenyl]-3-(2-fluoropyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl diethyl phosphate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCN1C=C(C2=C1N=CC(=C2)C3=CC(=CC=C3)NC(=O)C=C)C4=CC(=NC=C4)F

DOS

IR

Vibrations