Geometry & MOs

Info

ID:

324306

PubChem CID:

126677400

Reduced:

ClN4O5C23H31 (1)

Stoich.:

AB4C5D23E31 (1)

Weight, g/mol:

566.299202

ΔHf, kcal/mol:

-194.63

Dipole, Da:

5.27

IP(EA), eV:

 -8.73(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[[(2R,3S,4R)-4-(4-methoxyphenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-oxo-1H-isoindole-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C(CC2=CC(=C(C=C2)O)O)N)Cl

DOS

IR

Vibrations