Geometry & MOs

Info

ID:	385578
PubChem CID:	134979461
Reduced:	SN2O8C24H36 (1)
Stoich.:	AB2C8D24E36 (1)
Weight, g/mol:	347.136887
ΔH_f, kcal/mol:	-290.23
Dipole, Da:	5.51
IP(EA), eV:	-9.29(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-1-benzamido-6-ethoxycarbonyloxy-4-methylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCCC1=C[C@@H]([C@](CC1)(C)C(=O)OC)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C)C

DOS

IR

Vibrations