Geometry & MOs

Info

ID:	43041
PubChem CID:	10318073
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	388.088164
ΔH_f, kcal/mol:	37.55
Dipole, Da:	9.45
IP(EA), eV:	-9.37(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=C4C(=CN=C3C=C2)C(=O)N(N4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations