Geometry & MOs

Info

ID:

115734

PubChem CID:

50532121

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

587.251062

ΔHf, kcal/mol:

-161.97

Dipole, Da:

9.51

IP(EA), eV:

 -8.94(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)N(C)C)Cl)Cl

DOS

IR

Vibrations