Geometry & MOs

Info

ID:

224082

PubChem CID:

85337953

Reduced:

O2F3N7C29H34 (1)

Stoich.:

A2B3C7D29E34 (1)

Weight, g/mol:

563.22024

ΔHf, kcal/mol:

-139.61

Dipole, Da:

7.3

IP(EA), eV:

 -8.61(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[3-(3,4-dihydro-2H-pyrrol-2-ylamino)prop-1-enylidene]-4-oxoquinazolin-2-yl]-2-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC2CC(NN2)CCC3=CC(=CC=C3)C(=O)NC4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F

DOS

IR

Vibrations