Geometry & MOs

Info

ID:

93850

PubChem CID:

49997211

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

676.374847

ΔHf, kcal/mol:

-274.97

Dipole, Da:

4.46

IP(EA), eV:

 -8.78(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-(propanoylamino)phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)F)F

DOS

IR

Vibrations