Geometry & MOs

Info

ID:

93567

PubChem CID:

49995534

Reduced:

FO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-278.81

Dipole, Da:

7.06

IP(EA), eV:

 -8.76(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(propanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations