Geometry & MOs

Info

ID:

117535

PubChem CID:

50606475

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-183.62

Dipole, Da:

5.38

IP(EA), eV:

 -8.91(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-fluoro-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C(C)C)Cl

DOS

IR

Vibrations