Geometry & MOs

Info

ID:	337412
PubChem CID:	127257097
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	2.39
IP(EA), eV:	-9.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyltridec-3-enoic acid

Drug info:

PubChemData

Smile

CC1CCCC(C1=O)OC(=O)C2=CSC=C2

DOS

IR

Vibrations