Geometry & MOs

Info

ID:	179467
PubChem CID:	76486275
Reduced:	N4O4C25H34 (1)
Stoich.:	A4B4C25D34 (1)
Weight, g/mol:	557.317265
ΔH_f, kcal/mol:	-155.25
Dipole, Da:	4.87
IP(EA), eV:	-9.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-butyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidin-3-yl] 2-methylpropyl carbonate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)N(CC1=CC=CC=C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CCN

DOS

IR

Vibrations