Geometry & MOs

Info

ID:

110007

PubChem CID:

50305040

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

634.327897

ΔHf, kcal/mol:

-273.12

Dipole, Da:

3.64

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC)C)F

DOS

IR

Vibrations