Geometry & MOs

Info

ID:	189797
PubChem CID:	77906822
Reduced:	NS2F3O5C14H20 (1)
Stoich.:	AB2C3D5E14F20 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-412.37
Dipole, Da:	7.6
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(1-adamantyl)-1-hydroxyprop-1-enyl]-5-hydroxy-1,3,3a,4,6,6a-hexahydropentalen-2-one

Drug info:

PubChemData

Smile

C1CCS(SC1)(C(CC(=O)N2CCCC2C(=O)O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations