Geometry & MOs

Info

ID:

116153

PubChem CID:

50549552

Reduced:

Cl2O5N6C37H48 (1)

Stoich.:

A2B5C6D37E48 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-230.33

Dipole, Da:

3.46

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)Cl

DOS

IR

Vibrations