Geometry & MOs

Info

ID:	372902
PubChem CID:	131306767
Reduced:	SBr2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	219.026248
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	2.96
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-chloro-5,7-difluoro-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=C(C=C1CBr)Br)C=CS2

DOS

IR

Vibrations