Geometry & MOs

Info

ID:

219203

PubChem CID:

85091556

Reduced:

N5O11C37H53 (1)

Stoich.:

A5B11C37D53 (1)

Weight, g/mol:

747.468333

ΔHf, kcal/mol:

-493.38

Dipole, Da:

5.02

IP(EA), eV:

 -9.59(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NC(CO)C(=O)OC

DOS

IR

Vibrations