Geometry & MOs

Info

ID:	403719
PubChem CID:	135061502
Reduced:	N2S2O4H18C21 (1)
Stoich.:	A2B2C4D18E21 (1)
Weight, g/mol:	459.08103
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	6.16
IP(EA), eV:	-10.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-3,3-bis(benzenesulfonyl)-1-cyano-4-ethenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C=C[C@@H]1CC(CC1(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)(C#N)C#N

DOS

IR

Vibrations