Geometry & MOs

Info

ID:	151553
PubChem CID:	53837786
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	190.120509
ΔH_f, kcal/mol:	-161.47
Dipole, Da:	5.73
IP(EA), eV:	-9.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-ethyloxane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)N=C=S

DOS

IR

Vibrations