Geometry & MOs

Info

ID:

105677

PubChem CID:

50135682

Reduced:

O5N6C42H58 (1)

Stoich.:

A5B6C42D58 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-225.36

Dipole, Da:

8.1

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations