Geometry & MOs

Info

ID:

115788

PubChem CID:

50534124

Reduced:

Cl2O5N6C33H40 (1)

Stoich.:

A2B5C6D33E40 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-203.67

Dipole, Da:

5.64

IP(EA), eV:

 -8.75(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C

DOS

IR

Vibrations