Geometry & MOs

Info

ID:	224808
PubChem CID:	85373776
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	3.18
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-methoxy-2-methylanilino)-3,7-dimethyl-8-oxoocta-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

CC(=CCCSC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations