Geometry & MOs

Info

ID:

114205

PubChem CID:

50474192

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

730.385412

ΔHf, kcal/mol:

-211.25

Dipole, Da:

8.83

IP(EA), eV:

 -8.29(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations