Geometry & MOs

Info

ID:	386997
PubChem CID:	134983645
Reduced:	NSO4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	6.66
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5R,6R)-undeca-1,3-diene-5,6-diol

Drug info:

PubChemData

Smile

COC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations