Geometry & MOs

Info

ID:

169840

PubChem CID:

75155936

Reduced:

N4O5C32H36 (1)

Stoich.:

A4B5C32D36 (1)

Weight, g/mol:

592.208863

ΔHf, kcal/mol:

-168.51

Dipole, Da:

3.51

IP(EA), eV:

 -8.58(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3CC(CCC3C(=O)N(C2=O)CC4=CC=CO4)C(=O)NCCC5=CC=CC=C5)C

DOS

IR

Vibrations