Geometry & MOs

Info

ID:	385599
PubChem CID:	134979520
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	421.22868
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	2.56
IP(EA), eV:	-8.64(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-12-methylidene-14-[(4-methylphenyl)sulfonylamino]tetradec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCC/C=C/CC(=C)CCOCC1=CC=C(C=C1)OC

DOS

IR

Vibrations