Geometry & MOs

Info

ID:	13687
PubChem CID:	396890
Reduced:	Cl2O7C26H28 (1)
Stoich.:	A2B7C26D28 (1)
Weight, g/mol:	522.121209
ΔH_f, kcal/mol:	-257.63
Dipole, Da:	7.02
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-oxooct-1-enyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CCC(=O)CCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)OC)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC

DOS

IR

Vibrations