Geometry & MOs

Info

ID:

192836

PubChem CID:

78318794

Reduced:

O8C15H19 (2)

Stoich.:

A8B15C19 (2)

Weight, g/mol:

556.291037

ΔHf, kcal/mol:

-663.45

Dipole, Da:

5.25

IP(EA), eV:

 -8.75(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=C(C=C1)O)O)[C@@H](C)CC2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O

DOS

IR

Vibrations