Geometry & MOs

Info

ID:

433897

PubChem CID:

135174044

Reduced:

O4N8C35H36 (1)

Stoich.:

A4B8C35D36 (1)

Weight, g/mol:

548.233602

ΔHf, kcal/mol:

5.2

Dipole, Da:

4.56

IP(EA), eV:

 -7.17(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-ethenyl-N-[2-fluoro-3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)C)C4=CC=C/C(=N\C5=C6C(=CC(=CN6)CN7CC(C7)C(=O)O)C=CN5)/C4=O

DOS

IR

Vibrations