Geometry & MOs

Info

ID:	64190
PubChem CID:	29198075
Reduced:	ClFSO2N3C21H23 (1)
Stoich.:	ABCD2E3F21G23 (1)
Weight, g/mol:	452.080885
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	3.83
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations