Geometry & MOs

Info

ID:	296544
PubChem CID:	117582412
Reduced:	BrFSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	17.5
Dipole, Da:	1.89
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NC2=NC=C(S2)CN)F

DOS

IR

Vibrations