Geometry & MOs

Info

ID:	32709
PubChem CID:	7847255
Reduced:	ClSN2O6C15H15 (1)
Stoich.:	ABC2D6E15F15 (1)
Weight, g/mol:	405.170686
ΔH_f, kcal/mol:	-223.17
Dipole, Da:	3.92
IP(EA), eV:	-9.25(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations