Geometry & MOs

Info

ID:

95485

PubChem CID:

50009716

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-171.4

Dipole, Da:

7.41

IP(EA), eV:

 -8.55(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylcarbamoyl)-6-methylphenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations