Geometry & MOs

Info

ID:	448573
PubChem CID:	135291986
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	257.978349
ΔH_f, kcal/mol:	22.31
Dipole, Da:	2.67
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-oxo-1lambda5-phosphiran-1-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C/C=C(\C)/NC1=NC(=NS1)C(C)(C)C

DOS

IR

Vibrations