Geometry & MOs

Info

ID:

110585

PubChem CID:

50331310

Reduced:

ClN6O6C34H43 (1)

Stoich.:

AB6C6D34E43 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-225.85

Dipole, Da:

3.27

IP(EA), eV:

 -9.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5)C(=O)N(C)C

DOS

IR

Vibrations