Geometry & MOs

Info

ID:

100174

PubChem CID:

50059017

Reduced:

FSO4N7C32H40 (1)

Stoich.:

ABC4D7E32F40 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-170.77

Dipole, Da:

11.64

IP(EA), eV:

 -8.73(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(5-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=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations