Geometry & MOs

Info

ID:	435416
PubChem CID:	135191402
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	252.16785
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	5.49
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-(2-ethylnonyl)-dimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C/C/1=C\C=C/C=C(/C(CO/C(=C\C(C1=O)(C)C#C)/C(=O)C)(C)C)\C

DOS

IR

Vibrations