Geometry & MOs

Info

ID:	382111
PubChem CID:	134973053
Reduced:	N3O12C19H27 (1)
Stoich.:	A3B12C19D27 (1)
Weight, g/mol:	377.168581
ΔH_f, kcal/mol:	-471.96
Dipole, Da:	2.23
IP(EA), eV:	-10.02(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-4-hydroxy-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)OC[C@H]([C@H](C1[C@@H]([C@@H](C[C@](O1)(C(=O)OC)OC)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=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

CC(=O)OC[C@H]([C@H](C1[C@@H]([C@@H](C[C@](O1)(C(=O)OC)OC)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):