Geometry & MOs

Info

ID:

116146

PubChem CID:

50549538

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-175.23

Dipole, Da:

8.87

IP(EA), eV:

 -8.65(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(C)C)Cl

DOS

IR

Vibrations