Geometry & MOs

Info

ID:	133175
PubChem CID:	51487245
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-196.9
Dipole, Da:	4.81
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C

DOS

IR

Vibrations