Geometry & MOs

Info

ID:	133653
PubChem CID:	51569839
Reduced:	SO2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	409.098881
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	6.86
IP(EA), eV:	-9.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)-[3-[[(2R)-3-methylbutan-2-yl]carbamoyl]phenyl]sulfonylazanide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2)C(=O)O

DOS

IR

Vibrations