Geometry & MOs

Info

ID:	302835
PubChem CID:	124397279
Reduced:	SN2O5C29H32 (1)
Stoich.:	AB2C5D29E32 (1)
Weight, g/mol:	162.125594
ΔH_f, kcal/mol:	-138.36
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R)-2-ethoxypropoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)N3[C@@H](C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)C(C)C)OC

DOS

IR

Vibrations