Geometry & MOs

Info

ID:	391772
PubChem CID:	135009375
Reduced:	O5C6H10 (2)
Stoich.:	A5B6C10 (2)
Weight, g/mol:	499.329774
ΔH_f, kcal/mol:	-437.91
Dipole, Da:	3.18
IP(EA), eV:	-10.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S,5R,13R,16S,17S)-4,5,9,9,13,20,20-heptamethyl-10,23-dioxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-16-yl] nitrite

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

C1[C@H]([C@H]([C@@H](C2(O1)COC3(CO2)[C@H]([C@@H]([C@@H](CO3)O)O)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

C1[C@H]([C@H]([C@@H](C2(O1)COC3(CO2)[C@H]([C@@H]([C@@H](CO3)O)O)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):