Geometry & MOs

Info

ID:	373124
PubChem CID:	131310377
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	2.84
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-pyrrolo[2,1-c][1,4]thiazin-6-yl)propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1CCl)Br)OC(F)F

DOS

IR

Vibrations