Geometry & MOs

Info

ID:

120187

PubChem CID:

50717365

Reduced:

Cl2O5N6C33H44 (1)

Stoich.:

A2B5C6D33E44 (1)

Weight, g/mol:

752.308911

ΔHf, kcal/mol:

-245.1

Dipole, Da:

3.48

IP(EA), eV:

 -9.31(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(3-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations