Geometry & MOs

Info

ID:

118668

PubChem CID:

50653190

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

700.351525

ΔHf, kcal/mol:

-215.74

Dipole, Da:

6.5

IP(EA), eV:

 -9.0(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations