Geometry & MOs

Info

ID:	195274
PubChem CID:	78667925
Reduced:	ClSN2O6C16H19 (1)
Stoich.:	ABC2D6E16F19 (1)
Weight, g/mol:	378.01029
ΔH_f, kcal/mol:	-232.16
Dipole, Da:	9.57
IP(EA), eV:	-9.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methoxyphenyl)methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CC(=O)NNC(=O)COC(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations