Geometry & MOs

Info

ID:	25639
PubChem CID:	627690
Reduced:	SN2O7C19H20 (1)
Stoich.:	AB2C7D19E20 (1)
Weight, g/mol:	305.000277
ΔH_f, kcal/mol:	-173.07
Dipole, Da:	3.93
IP(EA), eV:	-10.25(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxyphenyl)disulfanyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCOC(=O)C(C)N(C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations