Geometry & MOs

Info

ID:

219969

PubChem CID:

85165097

Reduced:

FN2O8H31C35 (1)

Stoich.:

AB2C8D31E35 (1)

Weight, g/mol:

624.279529

ΔHf, kcal/mol:

-286.09

Dipole, Da:

2.47

IP(EA), eV:

 -8.93(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[[1-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anilino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1COC(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=C(C=C5)F

DOS

IR

Vibrations