Geometry & MOs

Info

ID:	214404
PubChem CID:	84981962
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	395.097349
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	1.92
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC(=O)N

DOS

IR

Vibrations