Geometry & MOs

Info

ID:	413013
PubChem CID:	135085957
Reduced:	SO2N4H22C29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	157.45
Dipole, Da:	6.03
IP(EA), eV:	-8.6(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2,9-dimethyldec-5-ene-2,9-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C#CC2=CC=CC=C2N=[N+]=[N-])C3=CC=CC=C3/C=C\C4=CC=CC=C4

DOS

IR

Vibrations