Geometry & MOs

Info

ID:	238192
PubChem CID:	92729777
Reduced:	ClN3O3C24H32 (1)
Stoich.:	AB3C3D24E32 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	3.85
IP(EA), eV:	-8.21(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)CC3=CN(C4=C3C=C(C=C4)Cl)C

DOS

IR

Vibrations