Geometry & MOs

Info

ID:

119522

PubChem CID:

50688866

Reduced:

Cl2O5N6C39H52 (1)

Stoich.:

A2B5C6D39E52 (1)

Weight, g/mol:

714.306324

ΔHf, kcal/mol:

-240.98

Dipole, Da:

7.99

IP(EA), eV:

 -9.14(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)Cl

DOS

IR

Vibrations