Geometry & MOs

Info

ID:

112243

PubChem CID:

50399820

Reduced:

F3O5N6C34H37 (1)

Stoich.:

A3B5C6D34E37 (1)

Weight, g/mol:

608.312247

ΔHf, kcal/mol:

-310.89

Dipole, Da:

7.36

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations