Geometry & MOs

Info

ID:	64649
PubChem CID:	29203765
Reduced:	SCl2N2O5H16C19 (1)
Stoich.:	AB2C2D5E16F19 (1)
Weight, g/mol:	432.114378
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	8.24
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)Cl

DOS

IR

Vibrations