Geometry & MOs

Info

ID:	318499
PubChem CID:	126651540
Reduced:	SN4O5C25H32 (1)
Stoich.:	AB4C5D25E32 (1)
Weight, g/mol:	283.086744
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	5.03
IP(EA), eV:	-8.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-(difluoromethyl)piperidine-3,4-diol

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC#CC3CN(C3)C4CCCCC4)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations