Geometry & MOs

Info

ID:	318668
PubChem CID:	126652673
Reduced:	NO9C16H29 (1)
Stoich.:	AB9C16D29 (1)
Weight, g/mol:	407.142761
ΔH_f, kcal/mol:	-420.29
Dipole, Da:	6.88
IP(EA), eV:	-9.7(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1R)-1-[(3R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-2-oxoethoxy]-2-methoxy-3-oxopropyl] formate

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]1[C@H](C([C@H](C(O1)CO)O)O[C@H]2[C@H](C([C@@H](C(O2)C)OC)O)O)NC(=O)C

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]1[C@H](C([C@H](C(O1)CO)O)O[C@H]2[C@H](C([C@@H](C(O2)C)OC)O)O)NC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):