Geometry & MOs

Info

ID:

111470

PubChem CID:

50369676

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

607.353383

ΔHf, kcal/mol:

-238.46

Dipole, Da:

9.03

IP(EA), eV:

 -8.9(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations