Geometry & MOs

Info

ID:	59565
PubChem CID:	24875310
Reduced:	N2O5C8H16 (1)
Stoich.:	A2B5C8D16 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	-237.72
Dipole, Da:	4.71
IP(EA), eV:	-10.02(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethylthiophen-2-yl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1N)CO)O)O

DOS

IR

Vibrations