Geometry & MOs

Info

ID:	384840
PubChem CID:	134977781
Reduced:	NSO4C28H37 (1)
Stoich.:	ABC4D28E37 (1)
Weight, g/mol:	412.26136
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	5.12
IP(EA), eV:	-8.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] (E)-hex-2-en-4-ynedioate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](/C(=C/C#CC)/C1=CC=CO1)N[S@@](=O)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations