Geometry & MOs

Info

ID:	238193
PubChem CID:	92729778
Reduced:	SN4O5C21H28 (1)
Stoich.:	AB4C5D21E28 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-202.39
Dipole, Da:	4.61
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)CC(=O)N4CCCC4)C

DOS

IR

Vibrations