Geometry & MOs

Info

ID:	32213
PubChem CID:	6435942
Reduced:	ClSN4O5C25H27 (1)
Stoich.:	ABC4D5E25F27 (1)
Weight, g/mol:	452.069448
ΔH_f, kcal/mol:	-152.53
Dipole, Da:	6.67
IP(EA), eV:	-8.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-3-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC(=CC=C4)Cl.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations