Geometry & MOs

Info

ID:

117462

PubChem CID:

50603739

Reduced:

Cl3O4N5C28H32 (1)

Stoich.:

A3B4C5D28E32 (1)

Weight, g/mol:

633.271797

ΔHf, kcal/mol:

-161.9

Dipole, Da:

6.27

IP(EA), eV:

 -9.14(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations