Geometry & MOs

Info

ID:

95850

PubChem CID:

50015755

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-186.33

Dipole, Da:

9.77

IP(EA), eV:

 -8.46(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations