Geometry & MOs

Info

ID:

113803

PubChem CID:

50459006

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-233.34

Dipole, Da:

5.53

IP(EA), eV:

 -8.8(-1.12)

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-[3-[2-methyl-3-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations