Geometry & MOs

Info

ID:	382324
PubChem CID:	134973404
Reduced:	NO2C3H5 (4)
Stoich.:	AB2C3D5 (4)
Weight, g/mol:	442.206364
ΔH_f, kcal/mol:	-293.13
Dipole, Da:	3.29
IP(EA), eV:	-10.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6R)-6-acetamido-5-azido-6-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxohexanoate

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]1[C@@H](C[C@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)N=[N+]=[N-]

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]1[C@@H](C[C@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)N=[N+]=[N-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):