Geometry & MOs

Info

ID:

117289

PubChem CID:

50597585

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-187.73

Dipole, Da:

6.35

IP(EA), eV:

 -9.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations