Geometry & MOs

Info

ID:	214407
PubChem CID:	84981988
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	3.22
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(C)CC

DOS

IR

Vibrations