Geometry & MOs

Info

ID:	165862
PubChem CID:	74606211
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	485.0717
ΔH_f, kcal/mol:	109.62
Dipole, Da:	4.96
IP(EA), eV:	-8.71(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(3-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=NC(=O)C5C=CC=CC5=N4

DOS

IR

Vibrations