Geometry & MOs

Info

ID:

97422

PubChem CID:

50031529

Reduced:

ClF2N5O5C33H34 (1)

Stoich.:

AB2C5D5E33F34 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-248.7

Dipole, Da:

11.49

IP(EA), eV:

 -8.89(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)-4-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations