Geometry & MOs

Info

ID:

115834

PubChem CID:

50535694

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-216.2

Dipole, Da:

3.56

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations