Geometry & MOs

Info

ID:

101751

PubChem CID:

50065023

Reduced:

FSO4N7C30H36 (1)

Stoich.:

ABC4D7E30F36 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-149.56

Dipole, Da:

7.84

IP(EA), eV:

 -8.93(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations