Geometry & MOs

Info

ID:	52162
PubChem CID:	12014957
Reduced:	N2S2O5C26H28 (1)
Stoich.:	A2B2C5D26E28 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	4.87
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5,5-dimethyl-1,3-dioxan-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C(=O)OCCOCCOC(=O)C(CC2=CC=C(C=C2)C)SC#N)SC#N

DOS

IR

Vibrations