Geometry & MOs

Info

ID:

113760

PubChem CID:

50457477

Reduced:

F3O5N6C36H41 (1)

Stoich.:

A3B5C6D36E41 (1)

Weight, g/mol:

736.356003

ΔHf, kcal/mol:

-319.74

Dipole, Da:

6.34

IP(EA), eV:

 -8.83(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-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

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C)F)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations