Geometry & MOs

Info

ID:

101393

PubChem CID:

50064659

Reduced:

F3O5N6C38H43 (1)

Stoich.:

A3B5C6D38E43 (1)

Weight, g/mol:

746.340353

ΔHf, kcal/mol:

-318.82

Dipole, Da:

8.2

IP(EA), eV:

 -8.54(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations