Geometry & MOs

Info

ID:

108380

PubChem CID:

50243029

Reduced:

F2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

559.259483

ΔHf, kcal/mol:

-176.4

Dipole, Da:

8.96

IP(EA), eV:

 -8.8(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations