Geometry & MOs

Info

ID:	157100
PubChem CID:	56422126
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	383.03031
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	6.41
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylbutanamide

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SC(CC)C(=O)N

DOS

IR

Vibrations