Geometry & MOs

Info

ID:

117436

PubChem CID:

50603075

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-160.64

Dipole, Da:

7.84

IP(EA), eV:

 -9.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations