Geometry & MOs

Info

ID:

99521

PubChem CID:

50050985

Reduced:

F3O3N4C30H31 (1)

Stoich.:

A3B3C4D30E31 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-221.24

Dipole, Da:

6.06

IP(EA), eV:

 -8.7(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylcarbamoyl)phenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations