Geometry & MOs

Info

ID:	179621
PubChem CID:	76511504
Reduced:	NS2O6C33H43 (1)
Stoich.:	AB2C6D33E43 (1)
Weight, g/mol:	493.282823
ΔH_f, kcal/mol:	-246.19
Dipole, Da:	1.5
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-benzhydryl-3-(5-ethoxy-5-oxopentyl)-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(CC1(CCCN(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)SC(=S)OCC

DOS

IR

Vibrations