Geometry & MOs

Info

ID:	382281
PubChem CID:	134973337
Reduced:	NO10C16H25 (1)
Stoich.:	AB10C16D25 (1)
Weight, g/mol:	379.093702
ΔH_f, kcal/mol:	-456.15
Dipole, Da:	6.68
IP(EA), eV:	-10.05(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-5-acetamido-4-hydroxy-6-[(S)-hydroxy-[(4R)-2-sulfanylidene-1,3-dioxolan-4-yl]methyl]-2-methoxyoxane-2-carboxylate

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(=O)N[C@H](C1C(=C(C(=O)O1)O)C(=O)OC(C)(C)C)[C@H]([C@@H]([C@@H](CO)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(=O)N[C@H](C1C(=C(C(=O)O1)O)C(=O)OC(C)(C)C)[C@H]([C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):