Geometry & MOs

Info

ID:	89756
PubChem CID:	49964388
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	435.00799
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	7.46
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC2=NC3=C(C=C(C=C3C(=N2)C)C)C

DOS

IR

Vibrations