Geometry & MOs

Info

ID:

128217

PubChem CID:

51035916

Reduced:

N2F4O4C21H22 (1)

Stoich.:

A2B4C4D21E22 (1)

Weight, g/mol:

584.169216

ΔHf, kcal/mol:

-314.51

Dipole, Da:

3.14

IP(EA), eV:

 -8.78(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(E)-4-[[4-(3,4-dichloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-[(2-ethyl-3-methyl-5-nitroimidazol-4-yl)methyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCOC1=NC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)C(=O)O

DOS

IR

Vibrations