Geometry & MOs

Info

ID:

118644

PubChem CID:

50652132

Reduced:

Cl2O5N6C37H50 (1)

Stoich.:

A2B5C6D37E50 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-248.85

Dipole, Da:

4.83

IP(EA), eV:

 -8.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations