Geometry & MOs

Info

ID:

118059

PubChem CID:

50627338

Reduced:

ClFO5N6C30H38 (1)

Stoich.:

ABC5D6E30F38 (1)

Weight, g/mol:

633.271797

ΔHf, kcal/mol:

-260.36

Dipole, Da:

5.6

IP(EA), eV:

 -8.9(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(3-methoxybenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations