Geometry & MOs

Info

ID:	385963
PubChem CID:	134980407
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	444.156637
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	2.07
IP(EA), eV:	-9.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-[[bis(prop-2-enoxycarbonyl)amino]-methylsulfonylamino]-1,4-dimethylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC=CC[C@@H]1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations