Geometry & MOs

Info

ID:

118789

PubChem CID:

50658968

Reduced:

Cl2O5N6C34H46 (1)

Stoich.:

A2B5C6D34E46 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-242.05

Dipole, Da:

6.79

IP(EA), eV:

 -8.95(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C(C)C

DOS

IR

Vibrations