Geometry & MOs

Info

ID:

105736

PubChem CID:

50139325

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-189.55

Dipole, Da:

5.63

IP(EA), eV:

 -8.57(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations