Geometry & MOs

Info

ID:	403767
PubChem CID:	135061779
Reduced:	ISeN2Si2O7C28H41 (1)
Stoich.:	ABC2D2E7F28G41 (1)
Weight, g/mol:	562.92049
ΔH_f, kcal/mol:	-380.88
Dipole, Da:	9.87
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]-3-benzoyl-5-iodopyrimidine-2,4-dione

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(C)[Si]1(OC[C@@H]2C(C([C@@H]([Se]2)N3C=C(C(=O)N(C3=O)C(=O)C4=CC=CC=C4)I)O)O[Si](O1)(C(C)C)C(C)C)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(C)[Si]1(OC[C@@H]2C(C([C@@H]([Se]2)N3C=C(C(=O)N(C3=O)C(=O)C4=CC=CC=C4)I)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):