Geometry & MOs

Info

ID:	27950
PubChem CID:	824284
Reduced:	ClN3O4H8C14 (1)
Stoich.:	AB3C4D8E14 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	19.21
Dipole, Da:	1.4
IP(EA), eV:	-9.11(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/2\C(=O)N=C(N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations