Geometry & MOs

Info

ID:

298807

PubChem CID:

117657461

Reduced:

O7N8C46H48 (1)

Stoich.:

A7B8C46D48 (1)

Weight, g/mol:

440.126024

ΔHf, kcal/mol:

-185.44

Dipole, Da:

3.78

IP(EA), eV:

 -8.2(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-(2,4-difluorophenyl)-2-phenylquinazolin-4-yl]amino]-2,2-difluoropropanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=CC4=C3C=CC5=C4OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)CO

DOS

IR

Vibrations