Geometry & MOs

Info

ID:	133176
PubChem CID:	51487246
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-120.49
Dipole, Da:	2.78
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(N=CC=C4)SC

DOS

IR

Vibrations