Geometry & MOs

Info

ID:

120214

PubChem CID:

50718099

Reduced:

BrClO5N6C31H38 (1)

Stoich.:

ABC5D6E31F38 (1)

Weight, g/mol:

603.23791

ΔHf, kcal/mol:

-203.07

Dipole, Da:

9.88

IP(EA), eV:

 -9.06(-0.64)

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-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)Br

DOS

IR

Vibrations