Geometry & MOs

Info

ID:	394357
PubChem CID:	135022833
Reduced:	S2O7C19H34 (1)
Stoich.:	A2B7C19D34 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-364.51
Dipole, Da:	1.98
IP(EA), eV:	-9.06(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyloxepan-2-yl) acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CC[C@@H](O1)S[C@H]2[C@@H](C[C@@H](OC2C)SC3[C@@H](C[C@@H](OC3C)OC)O)O)O

DOS

IR

Vibrations