Geometry & MOs

Info

ID:	176869
PubChem CID:	76106816
Reduced:	ClSN2O3C14H21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	398.318481
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	3.61
IP(EA), eV:	-9.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclohexyl-3-hydroxypent-1-enyl)-5-octa-1,5-dienyl-1,2,3,3a,4,6a-hexahydropentalen-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C(CCCCN)N)Cl

DOS

IR

Vibrations