Geometry & MOs

Info

ID:	155209
PubChem CID:	56322655
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	4.6
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[3-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CN=C(O2)CCC(=O)NCCCNC(=O)C3=CC(=CC=C3)O)Cl

DOS

IR

Vibrations