Geometry & MOs

Info

ID:	44412
PubChem CID:	10503411
Reduced:	SN3O3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	443.209658
ΔH_f, kcal/mol:	15.1
Dipole, Da:	2.23
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3R)-2-phenacyl-3-phenylmethoxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)C2=C(N=CC=C2)S(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations