Geometry & MOs

Info

ID:

108018

PubChem CID:

50227007

Reduced:

ClF2N6O6C38H43 (1)

Stoich.:

AB2C6D6E38F43 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-305.19

Dipole, Da:

6.82

IP(EA), eV:

 -9.07(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations