Geometry & MOs

Info

ID:

112789

PubChem CID:

50419891

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

730.360946

ΔHf, kcal/mol:

-324.37

Dipole, Da:

11.58

IP(EA), eV:

 -9.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations