Geometry & MOs

Info

ID:

96073

PubChem CID:

50018735

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

566.247538

ΔHf, kcal/mol:

-130.47

Dipole, Da:

6.41

IP(EA), eV:

 -8.83(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-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)NC4=CC=CC=C4C

DOS

IR

Vibrations