Geometry & MOs

Info

ID:

120369

PubChem CID:

50724480

Reduced:

ClN6O6C37H53 (1)

Stoich.:

AB6C6D37E53 (1)

Weight, g/mol:

702.306324

ΔHf, kcal/mol:

-267.35

Dipole, Da:

8.35

IP(EA), eV:

 -9.09(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)OC

DOS

IR

Vibrations