Geometry & MOs

Info

ID:

96214

PubChem CID:

50019432

Reduced:

FSO4N7C30H36 (1)

Stoich.:

ABC4D7E30F36 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-146.83

Dipole, Da:

3.79

IP(EA), eV:

 -9.29(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations