Geometry & MOs

Info

ID:

106643

PubChem CID:

50171373

Reduced:

FN5O5C28H34 (1)

Stoich.:

AB5C5D28E34 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-229.65

Dipole, Da:

9.51

IP(EA), eV:

 -8.84(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations