Geometry & MOs

Info

ID:	373503
PubChem CID:	131316243
Reduced:	BrNOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	346.051832
ΔH_f, kcal/mol:	-0.28
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylazetidin-3-yl)-5-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations