Geometry & MOs

Info

ID:	388590
PubChem CID:	134989565
Reduced:	BNO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	251.931779
ΔH_f, kcal/mol:	-83.77
Dipole, Da:	1.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.034432
Charge, e:	0

Chem-info

IUPAC name:

thieno[2,3-c]thiopyran-6-yl perchlorate

Drug info:

PubChemData

Smile

[B-][N@+](C)(CC1=CC=CC=C1)[C@@H](C)C(=O)OC

DOS

IR

Vibrations