Geometry & MOs

Info

ID:	64279
PubChem CID:	29198835
Reduced:	FSN4O4C22H25 (1)
Stoich.:	ABC4D4E22F25 (1)
Weight, g/mol:	434.114772
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	9.94
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4)F

DOS

IR

Vibrations