Geometry & MOs

Info

ID:

118055

PubChem CID:

50626917

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

591.201525

ΔHf, kcal/mol:

-216.12

Dipole, Da:

13.2

IP(EA), eV:

 -8.84(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-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)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)Cl

DOS

IR

Vibrations