Geometry & MOs

Info

ID:

110277

PubChem CID:

50318578

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-225.52

Dipole, Da:

7.55

IP(EA), eV:

 -8.61(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C)C)F

DOS

IR

Vibrations