Geometry & MOs

Info

ID:

114679

PubChem CID:

50492146

Reduced:

SO3N6C26H30 (1)

Stoich.:

AB3C6D26E30 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-59.89

Dipole, Da:

3.0

IP(EA), eV:

 -8.74(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C)C

DOS

IR

Vibrations