Geometry & MOs

Info

ID:	178119
PubChem CID:	76280529
Reduced:	SO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	414.193691
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	6.84
IP(EA), eV:	-8.71(-3.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C(C=C2)CNS(=O)(=O)C3=CC4=NC(=O)C(=O)N=C4C=C3

DOS

IR

Vibrations