Geometry & MOs

Info

ID:

191873

PubChem CID:

78195868

Reduced:

FN3O5C31H34 (1)

Stoich.:

AB3C5D31E34 (1)

Weight, g/mol:

780.463307

ΔHf, kcal/mol:

-204.41

Dipole, Da:

3.18

IP(EA), eV:

 -8.74(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[[1-[[1-cyclohexyl-2-oxo-2-(4-oxoheptan-3-ylamino)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCC(C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)C2=CC3=CC=CC=C3N2CC4=CC=C(C=C4)F

DOS

IR

Vibrations