Geometry & MOs

Info

ID:

110821

PubChem CID:

50341166

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-210.53

Dipole, Da:

8.97

IP(EA), eV:

 -8.63(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations