Geometry & MOs

Info

ID:

44806

PubChem CID:

10506009

Reduced:

NSi2O3C29H47 (1)

Stoich.:

AB2C3D29E47 (1)

Weight, g/mol:

515.136032

ΔHf, kcal/mol:

-215.92

Dipole, Da:

3.21

IP(EA), eV:

 -8.4(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-(chloromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

[3H]C1=CC(=C2C3=C1C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations