Geometry & MOs

Info

ID:

94015

PubChem CID:

49998190

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-240.88

Dipole, Da:

5.45

IP(EA), eV:

 -8.75(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]-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)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations