Geometry & MOs

Info

ID:	75390
PubChem CID:	48423413
Reduced:	N2O3C17H30 (1)
Stoich.:	A2B3C17D30 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	7.06
IP(EA), eV:	-9.17(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-(4-propylsulfonylpiperazin-1-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations