Geometry & MOs

Info

ID:

320087

PubChem CID:

126658166

Reduced:

O6F7N11C56H60 (1)

Stoich.:

A6B7C11D56E60 (1)

Weight, g/mol:

373.175004

ΔHf, kcal/mol:

-489.68

Dipole, Da:

11.64

IP(EA), eV:

 -8.41(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NCC(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCN(CC6)C7=CC=C(C=C7)C(F)(F)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)C(C1CCCC1)NC(=O)OC

DOS

IR

Vibrations