Geometry & MOs

Info

ID:	78365
PubChem CID:	49689098
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-108.75
Dipole, Da:	5.5
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[3-(benzenesulfonyl)propanoylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)OC4=CC=CC=C4

DOS

IR

Vibrations