Geometry & MOs

Info

ID:	195230
PubChem CID:	78661205
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	426.185138
ΔH_f, kcal/mol:	-138.83
Dipole, Da:	1.64
IP(EA), eV:	-8.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)sulfanyl-3-(1-phenylethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CN(CCCNC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1)C3=CC=CC=C3

DOS

IR

Vibrations