Geometry & MOs

Info

ID:	430708
PubChem CID:	135170774
Reduced:	ClSN4O5C19H23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	642.201553
ΔH_f, kcal/mol:	-140.37
Dipole, Da:	2.64
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-6-[2-methyl-5-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)phenoxy]-2-pyridin-3-ylquinazolin-4-one

Drug info:

PubChemData

Smile

CN(C1=CC2=C(N=C1)OCCN(C2)C(=O)OCCOC)SC3=C(N=CC(=C3)Cl)OC

DOS

IR

Vibrations