Geometry & MOs

Info

ID:	162243
PubChem CID:	57394038
Reduced:	N3O6H23C26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	459.110021
ΔH_f, kcal/mol:	-207.46
Dipole, Da:	9.74
IP(EA), eV:	-9.11(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[8-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCC(=O)C2=CC3=C(C=C2)NC4=C3C5=C(C6=C4CCC6)C(=O)NC5=O)C(=O)O

DOS

IR

Vibrations