Geometry & MOs

Info

ID:	201397
PubChem CID:	79533708
Reduced:	BrNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	325.02483
ΔH_f, kcal/mol:	20.14
Dipole, Da:	3.34
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations