Geometry & MOs

Info

ID:	385765
PubChem CID:	134979934
Reduced:	SN2O8C18H26 (1)
Stoich.:	AB2C8D18E26 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-287.25
Dipole, Da:	5.44
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,6S)-1-benzamido-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@@H](CC1)C(=O)OC)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C

DOS

IR

Vibrations