Geometry & MOs

Info

ID:

116594

PubChem CID:

50567587

Reduced:

Cl2O5N6C35H48 (1)

Stoich.:

A2B5C6D35E48 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-251.81

Dipole, Da:

6.51

IP(EA), eV:

 -8.82(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations