Geometry & MOs

Info

ID:

98609

PubChem CID:

50045276

Reduced:

ClF2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-220.97

Dipole, Da:

15.82

IP(EA), eV:

 -8.83(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-methyl-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations