Geometry & MOs

Info

ID:

94325

PubChem CID:

49999712

Reduced:

F2O5N6C43H52 (1)

Stoich.:

A2B5C6D43E52 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-278.52

Dipole, Da:

7.34

IP(EA), eV:

 -8.88(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations