Geometry & MOs

Info

ID:	270617
PubChem CID:	103637331
Reduced:	BrFNOSH15C16 (1)
Stoich.:	ABCDEF15G16 (1)
Weight, g/mol:	382.97463
ΔH_f, kcal/mol:	-49.08
Dipole, Da:	2.94
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1CSC2=C(C1NCC3=C(C=CC(=C3)Br)O)C=C(C=C2)F

DOS

IR

Vibrations