Geometry & MOs

Info

ID:

114906

PubChem CID:

50501650

Reduced:

ClN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-206.9

Dipole, Da:

12.55

IP(EA), eV:

 -7.89(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methoxy-4-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C)OC

DOS

IR

Vibrations