Geometry & MOs

Info

ID:	127793
PubChem CID:	51015391
Reduced:	O7C16H28 (1)
Stoich.:	A7B16C28 (1)
Weight, g/mol:	513.24933
ΔH_f, kcal/mol:	-340.25
Dipole, Da:	5.46
IP(EA), eV:	-10.4(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S,4R,5R,6R,8S,9S,10R,13R,16R,17S,18R)-11-ethyl-4,8-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-yl] 2-chloroacetate

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

C[C@@H]([C@H]1CC[C@H]2[C@@H]([C@@]1(C[C@@]2(C)OCOC)C(=O)O)OCOC)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

C[C@@H]([C@H]1CC[C@H]2[C@@H]([C@@]1(C[C@@]2(C)OCOC)C(=O)O)OCOC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):