Geometry & MOs

Info

ID:

441623

PubChem CID:

135237876

Reduced:

OF3N5H14C23 (1)

Stoich.:

AB3C5D14E23 (1)

Weight, g/mol:

583.199599

ΔHf, kcal/mol:

-47.14

Dipole, Da:

2.17

IP(EA), eV:

 -9.12(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C2=CC3=C(NC=C3C4=CN=CC(=C4)C#N)N=C2

DOS

IR

Vibrations