Geometry & MOs

Info

ID:	75314
PubChem CID:	48423319
Reduced:	SN2O5C16H26 (1)
Stoich.:	AB2C5D16E26 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-206.57
Dipole, Da:	6.77
IP(EA), eV:	-9.59(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2CCS(=O)(=O)C2)OCC3CC3

DOS

IR

Vibrations