Geometry & MOs

Info

ID:

96570

PubChem CID:

50022324

Reduced:

FSO4N7C30H36 (1)

Stoich.:

ABC4D7E30F36 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-150.47

Dipole, Da:

14.72

IP(EA), eV:

 -8.79(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetylanilino)-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations