Geometry & MOs

Info

ID:

105742

PubChem CID:

50139341

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-230.49

Dipole, Da:

8.79

IP(EA), eV:

 -9.09(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations