Geometry & MOs

Info

ID:

169838

PubChem CID:

75155847

Reduced:

N4O8H32C33 (1)

Stoich.:

A4B8C32D33 (1)

Weight, g/mol:

588.177562

ΔHf, kcal/mol:

-260.41

Dipole, Da:

4.93

IP(EA), eV:

 -8.66(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)CN2C3CC(CCC3C(=O)N(C2=O)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations