Geometry & MOs

Info

ID:

104228

PubChem CID:

50100094

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-194.48

Dipole, Da:

10.75

IP(EA), eV:

 -8.67(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-chlorophenyl)-1-[1-[2-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC(C)C)C)Cl

DOS

IR

Vibrations