Geometry & MOs

Info

ID:	170524
PubChem CID:	75247636
Reduced:	SiS2O3C24H42 (1)
Stoich.:	AB2C3D24E42 (1)
Weight, g/mol:	759.191279
ΔH_f, kcal/mol:	-210.07
Dipole, Da:	2.47
IP(EA), eV:	-8.36(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-6-[3-[4-(4-fluorophenyl)triazol-1-yl]-1,2-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid

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

CCCC(CC1(SCCCS1)CCC2=CC(=C(C=C2)O[Si](C)(C)C(C)(C)C)OC)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

CCCC(CC1(SCCCS1)CCC2=CC(=C(C=C2)O[Si](C)(C)C(C)(C)C)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):