Geometry & MOs

Info

ID:	222830
PubChem CID:	85332668
Reduced:	O15H22C24 (1)
Stoich.:	A15B22C24 (1)
Weight, g/mol:	550.174001
ΔH_f, kcal/mol:	-576.01
Dipole, Da:	6.45
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(4-carboxybenzoyl)-methylamino]benzoyl]amino]-5-[2-(4-methoxyphenyl)ethenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC(=O)CC(=O)O)O)O)O)O

DOS

IR

Vibrations