Geometry & MOs

Info

ID:	59572
PubChem CID:	24875321
Reduced:	OC6H12 (3)
Stoich.:	AB6C12 (3)
Weight, g/mol:	617.167063
ΔH_f, kcal/mol:	-212.28
Dipole, Da:	4.82
IP(EA), eV:	-10.34(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-2,3-bis(trifluoromethyl)phenyl]sulfanylphenoxy]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](CCCCCCCCCCCC(=O)O)O

DOS

IR

Vibrations