Geometry & MOs

Info

ID:

435081

PubChem CID:

135180024

Reduced:

Cl2O3N6C27H34 (1)

Stoich.:

A2B3C6D27E34 (1)

Weight, g/mol:

615.201525

ΔHf, kcal/mol:

-58.41

Dipole, Da:

3.66

IP(EA), eV:

 -8.16(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC2=C3C=C(N=CC3=CC(=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl)NC5CCOC5

DOS

IR

Vibrations