Geometry & MOs

Info

ID:

99477

PubChem CID:

50050876

Reduced:

ClFO4N5C38H39 (1)

Stoich.:

ABC4D5E38F39 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-159.18

Dipole, Da:

6.81

IP(EA), eV:

 -8.44(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations