Geometry & MOs

Info

ID:

103365

PubChem CID:

50071477

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-242.7

Dipole, Da:

7.08

IP(EA), eV:

 -8.87(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)Cl

DOS

IR

Vibrations