Geometry & MOs

Info

ID:

119174

PubChem CID:

50672742

Reduced:

Cl3O4N5C33H40 (1)

Stoich.:

A3B4C5D33E40 (1)

Weight, g/mol:

675.214588

ΔHf, kcal/mol:

-185.35

Dipole, Da:

6.21

IP(EA), eV:

 -8.96(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations