Geometry & MOs

Info

ID:	3205
PubChem CID:	9326
Reduced:	NO11C34H47 (1)
Stoich.:	AB11C34D47 (1)
Weight, g/mol:	645.314911
ΔH_f, kcal/mol:	-339.8
Dipole, Da:	4.39
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R,5R,7S,8R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

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

CCN1CC2(C(CC([C@@]34C2C(C(C31)[C@]5([C@H](C([C@]6(CC4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OC(=O)C)OC)OC)O)COC

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

CCN1CC2(C(CC([C@@]34C2C(C(C31)[C@]5([C@H](C([C@]6(CC4C5[C@H]6OC(=O)C7=CC=CC=C7)O)OC)O)OC(=O)C)OC)OC)O)COC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):