Geometry & MOs

Info

ID:	17300
PubChem CID:	491986
Reduced:	NCl2O8C25H25 (1)
Stoich.:	AB2C8D25E25 (1)
Weight, g/mol:	537.095722
ΔH_f, kcal/mol:	-309.02
Dipole, Da:	4.81
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-carboxy-5-chloro-4-methoxyphenyl)-(1-ethoxycarbonylpiperidin-4-ylidene)methyl]-3-chloro-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(=C(C2=CC(=C(C(=C2)Cl)OC)C(=O)O)C3=CC(=C(C(=C3)Cl)OC)C(=O)O)CC1

DOS

IR

Vibrations