Geometry & MOs

Info

ID:	214406
PubChem CID:	84981980
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-143.75
Dipole, Da:	6.85
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butan-2-ylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations