Geometry & MOs

Info

ID:	294159
PubChem CID:	117428886
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	270.056195
ΔH_f, kcal/mol:	19.79
Dipole, Da:	2.68
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(5-methoxy-1,3-benzoxathiol-6-yl)acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N1C2=CC=CC(=C2)C3=CC(=NO3)N)C

DOS

IR

Vibrations