Geometry & MOs

Info

ID:

120514

PubChem CID:

50730852

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

641.22051

ΔHf, kcal/mol:

-201.76

Dipole, Da:

8.45

IP(EA), eV:

 -8.61(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl)F

DOS

IR

Vibrations