Geometry & MOs

Info

ID:

118472

PubChem CID:

50643851

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

646.243724

ΔHf, kcal/mol:

-196.65

Dipole, Da:

4.94

IP(EA), eV:

 -9.09(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations