Geometry & MOs

Info

ID:

215402

PubChem CID:

85084684

Reduced:

F3N8O9C43H51 (1)

Stoich.:

A3B8C9D43E51 (1)

Weight, g/mol:

880.50584

ΔHf, kcal/mol:

-496.43

Dipole, Da:

2.99

IP(EA), eV:

 -9.15(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-[[2-[[1-[(1-amino-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C(=O)N2C1C(CC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4)NC(=O)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations