Geometry & MOs

Info

ID:	132023
PubChem CID:	51293334
Reduced:	SCl2N2O4C15H18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	1.86
IP(EA), eV:	-9.58(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)NC3CC3

DOS

IR

Vibrations