Geometry & MOs

Info

ID:	221318
PubChem CID:	85267641
Reduced:	SO2C25H34 (1)
Stoich.:	AB2C25D34 (1)
Weight, g/mol:	398.260314
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	2.96
IP(EA), eV:	-8.32(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate

Drug info:

PubChemData

Smile

CCCCC(C=C(C(CCCC)C1=CC=CC=C1)S(=O)C2=CC=C(C=C2)C)O

DOS

IR

Vibrations