Geometry & MOs

Info

ID:	374461
PubChem CID:	131329790
Reduced:	BrSF2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	3.71
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-4-(hydroxymethyl)-8-methoxy-2,3-dihydrochromen-7-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C(F)F)CBr)SC=C2

DOS

IR

Vibrations