Geometry & MOs

Info

ID:	47110
PubChem CID:	10529685
Reduced:	NSSiO6C25H39 (1)
Stoich.:	ABCD6E25F39 (1)
Weight, g/mol:	509.299507
ΔH_f, kcal/mol:	-320.38
Dipole, Da:	6.34
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,3aS,6aS)-6a-[[N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-S-(4-methylphenyl)sulfonimidoyl]methyl]-2-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-3-ol

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)(C)OC(=O)N[C@H](C1=CC=CC2=CC=CC=C21)[C@H](CO[Si](C)(C)C(C)(C)C)OS(=O)(=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(C)(C)OC(=O)N[C@H](C1=CC=CC2=CC=CC=C21)[C@H](CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):