Geometry & MOs

Info

ID:

115550

PubChem CID:

50526975

Reduced:

Cl2N5O5C31H41 (1)

Stoich.:

A2B5C5D31E41 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-228.39

Dipole, Da:

7.78

IP(EA), eV:

 -8.81(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations