Geometry & MOs

Info

ID:

120264

PubChem CID:

50720292

Reduced:

BrClO5N6C32H42 (1)

Stoich.:

ABC5D6E32F42 (1)

Weight, g/mol:

646.243724

ΔHf, kcal/mol:

-216.55

Dipole, Da:

4.13

IP(EA), eV:

 -9.16(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[2-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl)Br

DOS

IR

Vibrations