Geometry & MOs

Info

ID:

110346

PubChem CID:

50320987

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-244.62

Dipole, Da:

8.23

IP(EA), eV:

 -8.73(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6F)C)C)F

DOS

IR

Vibrations