Geometry & MOs

Info

ID:

117447

PubChem CID:

50603273

Reduced:

Cl2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

605.217175

ΔHf, kcal/mol:

-177.05

Dipole, Da:

9.83

IP(EA), eV:

 -8.67(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl)Cl

DOS

IR

Vibrations