Geometry & MOs

Info

ID:

107223

PubChem CID:

50195457

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-287.01

Dipole, Da:

7.42

IP(EA), eV:

 -8.92(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(phenylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations