Geometry & MOs

Info

ID:	399147
PubChem CID:	135038223
Reduced:	ClNSO4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	8.83
IP(EA), eV:	-10.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-8-hydroxy-5,9-dimethyldeca-4,9-dienenitrile

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)Cl)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations