Geometry & MOs

Info

ID:	367612
PubChem CID:	127325102
Reduced:	SO4N5C14H23 (1)
Stoich.:	AB4C5D14E23 (1)
Weight, g/mol:	331.156577
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations