Geometry & MOs

Info

ID:

118993

PubChem CID:

50666897

Reduced:

Cl2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-171.91

Dipole, Da:

4.69

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations