Geometry & MOs

Info

ID:	200588
PubChem CID:	79414304
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	6.28
IP(EA), eV:	-9.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-N,2,3-trimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

Drug info:

PubChemData

Smile

CC1C(S(=O)(=O)C2=C(C1N)C=CC=C2Br)C

DOS

IR

Vibrations