Geometry & MOs

Info

ID:

95557

PubChem CID:

50010337

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-201.02

Dipole, Da:

3.04

IP(EA), eV:

 -9.09(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations