Geometry & MOs

Info

ID:	367630
PubChem CID:	127325120
Reduced:	SO4N5C16H27 (1)
Stoich.:	AB4C5D16E27 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	5.06
IP(EA), eV:	-9.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=NNC(=C3C)C

DOS

IR

Vibrations