Geometry & MOs

Info

ID:

91185

PubChem CID:

49973961

Reduced:

NOC7H9 (4)

Stoich.:

ABC7D9 (4)

Weight, g/mol:

730.421797

ΔHf, kcal/mol:

-155.45

Dipole, Da:

8.42

IP(EA), eV:

 -8.68(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations