Geometry & MOs

Info

ID:	322755
PubChem CID:	126671010
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	357.9336
ΔH_f, kcal/mol:	45.46
Dipole, Da:	1.25
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-difluoro-4-iodo-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide

Drug info:

PubChemData

Smile

CCC1=CC2=CN=C(N=C2C=C1)NC

DOS

IR

Vibrations