Geometry & MOs

Info

ID:

107741

PubChem CID:

50217015

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-219.7

Dipole, Da:

8.41

IP(EA), eV:

 -9.08(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations