Geometry & MOs

Info

ID:

169828

PubChem CID:

75155837

Reduced:

N4O7C31H32 (1)

Stoich.:

A4B7C31D32 (1)

Weight, g/mol:

592.13213

ΔHf, kcal/mol:

-233.72

Dipole, Da:

4.5

IP(EA), eV:

 -9.2(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3CCC(CC3N(C2=O)CC(=O)NC4=CC=CC=C4C(=O)OC)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations