Geometry & MOs

Info

ID:	54742
PubChem CID:	17389189
Reduced:	ON2S2H12C18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	407.132193
ΔH_f, kcal/mol:	127.81
Dipole, Da:	10.21
IP(EA), eV:	-7.64(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylimino)-1,3-oxathiolan-5-yl]methyl benzoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C/C(=C/3\C=C/C(=C/4\C=C/C(=C/N=O)/S4)/S3)/N2

DOS

IR

Vibrations