Geometry & MOs

Info

ID:

118507

PubChem CID:

50644834

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-218.71

Dipole, Da:

6.55

IP(EA), eV:

 -9.15(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N)C

DOS

IR

Vibrations