Geometry & MOs

Info

ID:	222781
PubChem CID:	85332452
Reduced:	NO4C33H51 (1)
Stoich.:	AB4C33D51 (1)
Weight, g/mol:	525.085826
ΔH_f, kcal/mol:	-187.89
Dipole, Da:	3.87
IP(EA), eV:	-8.99(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-(dimethylamino)-1,3-dioxoisoindol-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC(=CC(C)C(C(C)C=CCCC1=CC(=CC=C1)O)O)C)C(C)C(C)C(C(C)C=CC=C)OC(=O)N

DOS

IR

Vibrations