Geometry & MOs

Info

ID:	325243
PubChem CID:	126682253
Reduced:	O11C16H30 (1)
Stoich.:	A11B16C30 (1)
Weight, g/mol:	602.29855
ΔH_f, kcal/mol:	-528.6
Dipole, Da:	4.89
IP(EA), eV:	-10.36(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-acetyloxy-1-[6-[(6-ethyl-2-propyl-1,3-dioxan-4-yl)methyl]-2-methyl-1,3-dioxan-4-yl]-2-hydroxyheptan-4-yl] 2-(5-sulfanylidene-2H-tetrazol-1-yl)acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)O[C@H]1C([C@H]([C@H](C(O1)CO)O)O[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)O[C@H]1C([C@H]([C@H](C(O1)CO)O)O[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):