Geometry & MOs

Info

ID:

105419

PubChem CID:

50107157

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-188.0

Dipole, Da:

8.27

IP(EA), eV:

 -8.78(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-fluoro-3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations