Geometry & MOs

Info

ID:

441645

PubChem CID:

135238299

Reduced:

O4N5C33H35 (1)

Stoich.:

A4B5C33D35 (1)

Weight, g/mol:

623.250886

ΔHf, kcal/mol:

-46.04

Dipole, Da:

1.23

IP(EA), eV:

 -8.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)N(C)C(=O)C=C)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations