Geometry & MOs

Info

ID:	382057
PubChem CID:	134972972
Reduced:	SN3O9C21H33 (1)
Stoich.:	AB3C9D21E33 (1)
Weight, g/mol:	574.237389
ΔH_f, kcal/mol:	-413.74
Dipole, Da:	6.97
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[[(2R,5S)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]amino]methylidene]propanedioate

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)O[C@@H]1C(O[C@H](C(C1NC(=O)OC(C)(C)C)OC(=O)C)N=C=S)CNC(=O)OC(C)(C)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)O[C@@H]1C(O[C@H](C(C1NC(=O)OC(C)(C)C)OC(=O)C)N=C=S)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):