Geometry & MOs

Info

ID:	136790
PubChem CID:	52100460
Reduced:	SN3O5C14H18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	355.051444
ΔH_f, kcal/mol:	-159.8
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969455
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-yl 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C

DOS

IR

Vibrations