Geometry & MOs

Info

ID:	35681
PubChem CID:	7980191
Reduced:	NSO6C15H19 (1)
Stoich.:	ABC6D15E19 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-235.25
Dipole, Da:	6.05
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations