Geometry & MOs

Info

ID:

104979

PubChem CID:

50106082

Reduced:

ClO4F5N5C35H37 (1)

Stoich.:

AB4C5D5E35F37 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-393.1

Dipole, Da:

13.32

IP(EA), eV:

 -8.98(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations