Geometry & MOs

Info

ID:	248692
PubChem CID:	103083669
Reduced:	BrSN2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	364.06088
ΔH_f, kcal/mol:	52.31
Dipole, Da:	3.09
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(S2)CN

DOS

IR

Vibrations