Geometry & MOs

Info

ID:

100268

PubChem CID:

50059609

Reduced:

ClF2O5N6C41H43 (1)

Stoich.:

AB2C5D6E41F43 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-244.21

Dipole, Da:

10.82

IP(EA), eV:

 -8.65(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations