Geometry & MOs

Info

ID:	302301
PubChem CID:	124361156
Reduced:	NO10C25H25 (1)
Stoich.:	AB10C25D25 (1)
Weight, g/mol:	459.135173
ΔH_f, kcal/mol:	-323.75
Dipole, Da:	7.33
IP(EA), eV:	-8.65(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-9-oxoxanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4C[C@@H](C[C@@H]4C(=O)O)O

DOS

IR

Vibrations