Geometry & MOs

Info

ID:	34311
PubChem CID:	7890727
Reduced:	SN2O7C14H18 (1)
Stoich.:	AB2C7D14E18 (1)
Weight, g/mol:	395.140259
ΔH_f, kcal/mol:	-252.47
Dipole, Da:	7.05
IP(EA), eV:	-9.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCOCC2

DOS

IR

Vibrations