Geometry & MOs

Info

ID:

215255

PubChem CID:

85084436

Reduced:

PO10C45H49 (1)

Stoich.:

AB10C45D49 (1)

Weight, g/mol:

780.489796

ΔHf, kcal/mol:

-382.73

Dipole, Da:

3.55

IP(EA), eV:

 -9.3(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-acetyl-N-[1-[[1-[[9-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-5-hydroxy-2-methyl-8-oxo-7-propan-2-ylnonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(C(CC1(C(=O)OCC2=CC=CC=C2)O)OCOCC3=CC=CC=C3)OCOCC4=CC=CC=C4)CP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations