Geometry & MOs

Info

ID:	47083
PubChem CID:	10529469
Reduced:	ClN2O2S2C26H31 (1)
Stoich.:	AB2C2D2E26F31 (1)
Weight, g/mol:	502.98006
ΔH_f, kcal/mol:	-13.04
Dipole, Da:	6.11
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-iodo-4-oxo-2-phenylquinazolin-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)[C@H](C/[S@@](=N/S(=O)(=O)C1=CC=C(C=C1)C)/C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations