Geometry & MOs

Info

ID:	373061
PubChem CID:	131309282
Reduced:	SF3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	279.95466
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	1.97
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(6-bromo-1,3-benzodioxol-5-yl)-2,2-difluoroethanol

Drug info:

PubChemData

Smile

C1CC(CSC1)C2=NC(=C(N2)C(F)(F)F)N

DOS

IR

Vibrations