Geometry & MOs

Info

ID:

98597

PubChem CID:

50045212

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-226.63

Dipole, Da:

7.75

IP(EA), eV:

 -8.91(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-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)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5

DOS

IR

Vibrations