Geometry & MOs

Info

ID:

435116

PubChem CID:

135180989

Reduced:

Cl2O4N6C27H32 (1)

Stoich.:

A2B4C6D27E32 (1)

Weight, g/mol:

543.14401

ΔHf, kcal/mol:

-64.09

Dipole, Da:

2.02

IP(EA), eV:

 -8.04(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-[[5-(azetidin-1-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C(=C2)C=NC(=N3)N[C@@H]4COCC[C@@H]4NC(C=C)O)NCC5CC5)Cl)OC

DOS

IR

Vibrations