Geometry & MOs

Info

ID:	367839
PubChem CID:	127325947
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	8.38
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(4-methylcyclohexyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CN(C(=N3)C)C

DOS

IR

Vibrations