Geometry & MOs

Info

ID:

106989

PubChem CID:

50184995

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-254.25

Dipole, Da:

7.09

IP(EA), eV:

 -9.03(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations