Geometry & MOs

Info

ID:

111941

PubChem CID:

50387610

Reduced:

FO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-174.43

Dipole, Da:

6.32

IP(EA), eV:

 -8.83(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)F)C(=O)NC5CCCC5

DOS

IR

Vibrations