Geometry & MOs

Info

ID:	75037
PubChem CID:	48422895
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	3.61
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-benzoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations