Geometry & MOs

Info

ID:	135366
PubChem CID:	51860939
Reduced:	NSCl2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	463.9597
ΔH_f, kcal/mol:	-171.08
Dipole, Da:	6.22
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[5-[(4-bromo-3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1Cl)S(=O)(=O)NC[C@H](C)O)Cl

DOS

IR

Vibrations