Geometry & MOs

Info

ID:

120658

PubChem CID:

50739306

Reduced:

BrClO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

582.296597

ΔHf, kcal/mol:

-166.7

Dipole, Da:

11.46

IP(EA), eV:

 -8.35(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-fluoro-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N(C)C

DOS

IR

Vibrations