Geometry & MOs

Info

ID:

189253

PubChem CID:

77833941

Reduced:

FN5O5C21H34 (1)

Stoich.:

AB5C5D21E34 (1)

Weight, g/mol:

701.415235

ΔHf, kcal/mol:

-279.88

Dipole, Da:

5.18

IP(EA), eV:

 -9.63(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-N-[1-cyclohexyl-3-hydroxy-5-(2-methylpropylamino)-5-oxopentan-2-yl]-4-methyl-3-(3-oxoisoindol-1-ylidene)pentanamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NCC(=O)C1CCC(CC1)N(C(=O)N2CC(C(=O)NC2=O)F)N

DOS

IR

Vibrations