Geometry & MOs

Info

ID:	360395
PubChem CID:	127301040
Reduced:	SO4N5C17H25 (1)
Stoich.:	AB4C5D17E25 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	5.64
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)[C@H](C)NS(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations