Geometry & MOs

Info

ID:	159268
PubChem CID:	57269377
Reduced:	NO13C45H73 (1)
Stoich.:	AB13C45D73 (1)
Weight, g/mol:	451.145344
ΔH_f, kcal/mol:	-636.51
Dipole, Da:	10.14
IP(EA), eV:	-9.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[dibenzofuran-2-yl(sulfino)amino]-7-phenylheptanoic acid

Drug info:

PubChemData

Smile

CCC1C=C(CC(CC(C2C(CC(C(O2)(C(C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)OC(=O)C)O)C)OC)OC)C)C

DOS

IR

Vibrations