Geometry & MOs

Info

ID:

117667

PubChem CID:

50609815

Reduced:

Cl2O5N6C27H32 (1)

Stoich.:

A2B5C6D27E32 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-196.3

Dipole, Da:

6.33

IP(EA), eV:

 -9.26(-0.82)

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-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C(=O)N(C)C)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations