Geometry & MOs

Info

ID:

427966

PubChem CID:

135165607

Reduced:

ClFO2N3H15C18 (1)

Stoich.:

ABC2D3E15F18 (1)

Weight, g/mol:

485.162996

ΔHf, kcal/mol:

-76.83

Dipole, Da:

4.95

IP(EA), eV:

 -9.5(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7E)-6-chloro-1-(cyclopropylmethyl)-7-(2-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-prop-2-enoylpiperazin-1-yl)-4,8-dihydro-3H-pyrido[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C2=C(C=C3C(=O)NC(=O)N(C3=N2)CC4CC4)Cl

DOS

IR

Vibrations