Geometry & MOs

Info

ID:	399862
PubChem CID:	135043283
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	265.99424
ΔH_f, kcal/mol:	-42.89
Dipole, Da:	4.7
IP(EA), eV:	-9.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromospiro[chromene-2,2'-oxolane]

Drug info:

PubChemData

Smile

CCC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations