Geometry & MOs

Info

ID:	166150
PubChem CID:	74642702
Reduced:	FSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	431.242021
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	4.47
IP(EA), eV:	-8.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3,4-dipropoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2F)C3=CC=CC=C3

DOS

IR

Vibrations