Geometry & MOs

Info

ID:	39165
PubChem CID:	8139841
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	371.10961
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	6.67
IP(EA), eV:	-9.7(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations