Geometry & MOs

Info

ID:	147781
PubChem CID:	53787439
Reduced:	SN2O3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	408.170352
ΔH_f, kcal/mol:	-61.46
Dipole, Da:	3.86
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-[2-(4-chloro-2-methylphenoxy)acetyl]oxy-5,9-dimethyldeca-2,9-dienoate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N

DOS

IR

Vibrations