Geometry & MOs

Info

ID:

110667

PubChem CID:

50334851

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-241.64

Dipole, Da:

5.81

IP(EA), eV:

 -8.89(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations