Geometry & MOs

Info

ID:

435096

PubChem CID:

135180326

Reduced:

Cl2O4N7H21C23 (1)

Stoich.:

A2B4C7D21E23 (1)

Weight, g/mol:

588.165473

ΔHf, kcal/mol:

-9.89

Dipole, Da:

4.5

IP(EA), eV:

 -8.37(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(oxolan-2-ylmethylamino)pyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=NC3=C(N=C(C=C3C=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl)OC)NC(=O)C=C

DOS

IR

Vibrations