Geometry & MOs

Info

ID:	366167
PubChem CID:	127319576
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	3.56
IP(EA), eV:	-8.99(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations