Geometry & MOs

Info

ID:

106704

PubChem CID:

50173063

Reduced:

ClO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

671.1874

ΔHf, kcal/mol:

-238.68

Dipole, Da:

6.91

IP(EA), eV:

 -9.12(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C)Cl

DOS

IR

Vibrations