Geometry & MOs

Info

ID:	322545
PubChem CID:	126670461
Reduced:	SC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	402.131468
ΔH_f, kcal/mol:	33.39
Dipole, Da:	1.07
IP(EA), eV:	-6.2(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienoyl]oxy-3-(4-methylbenzoyl)oxybutanedioic acid

Drug info:

PubChemData

Smile

CC(C)(CCC(=C)C=C)CS(C)(C)C

DOS

IR

Vibrations