Geometry & MOs

Info

ID:	214405
PubChem CID:	84981979
Reduced:	S2N3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	409.112999
ΔH_f, kcal/mol:	-148.76
Dipole, Da:	3.47
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations