Geometry & MOs

Info

ID:	308548
PubChem CID:	126496954
Reduced:	N2S2O8C31H44 (1)
Stoich.:	A2B2C8D31E44 (1)
Weight, g/mol:	646.238259
ΔH_f, kcal/mol:	-311.84
Dipole, Da:	10.43
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(2S)-2-(cyclohexylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)N[C@@H](CCC1=CC=CC=C1)COC(=O)/C=C/C(=O)OC[C@H](CC2=CC=CC=C2)NS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations