Geometry & MOs

Info

ID:

100428

PubChem CID:

50061379

Reduced:

ClFO4N5C38H39 (1)

Stoich.:

ABC4D5E38F39 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-163.94

Dipole, Da:

6.44

IP(EA), eV:

 -8.78(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3-methoxyanilino)-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)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations