Geometry & MOs

Info

ID:

98298

PubChem CID:

50042501

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-217.71

Dipole, Da:

8.54

IP(EA), eV:

 -8.63(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations