Geometry & MOs

Info

ID:	214409
PubChem CID:	84981991
Reduced:	SO2N5H19C22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	56.9
Dipole, Da:	8.64
IP(EA), eV:	-8.86(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4C=CC=CC4=N3)C#N

DOS

IR

Vibrations