Geometry & MOs

Info

ID:

222648

PubChem CID:

85307437

Reduced:

O9C46H50 (1)

Stoich.:

A9B46C50 (1)

Weight, g/mol:

802.415294

ΔHf, kcal/mol:

-252.65

Dipole, Da:

1.0

IP(EA), eV:

 -9.3(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 4-[3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxopropyl]-2,6-dimethylpyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations