Geometry & MOs

Info

ID:	37345
PubChem CID:	8020002
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	6.7
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylmethylamino)-2-oxoethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

DOS

IR

Vibrations