Geometry & MOs

Info

ID:

169837

PubChem CID:

75155846

Reduced:

N5O6C35H37 (1)

Stoich.:

A5B6C35D37 (1)

Weight, g/mol:

612.222014

ΔHf, kcal/mol:

-164.47

Dipole, Da:

5.34

IP(EA), eV:

 -8.37(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[7-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C5=CC=CC=C5)CC(=O)N6CCN(CC6)C7=CC=CC=C7

DOS

IR

Vibrations