Geometry & MOs

Info

ID:

120318

PubChem CID:

50722474

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-185.75

Dipole, Da:

8.89

IP(EA), eV:

 -8.63(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations