Geometry & MOs

Info

ID:	45957
PubChem CID:	10519652
Reduced:	NO6C16H17 (1)
Stoich.:	AB6C16D17 (1)
Weight, g/mol:	319.0667
ΔH_f, kcal/mol:	-229.85
Dipole, Da:	2.56
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-naphthalen-1-yl-2-oxoethyl)-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@H]2CC[C@H]([C@@H]([C@@H]2C3=CC4=C(C=C3C1=O)OCO4)O)O

DOS

IR

Vibrations