Geometry & MOs

Info

ID:	85078
PubChem CID:	49871630
Reduced:	SiN2O4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	439.163102
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	9.05
IP(EA), eV:	-8.52(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-1-oxidoindol-1-ium-3-one

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

C[C@H](C1[C@H](NC1=O)C2=[N+](C3=CC=CC=C3C2=O)[O-])O[Si](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

C[C@H](C1[C@H](NC1=O)C2=[N+](C3=CC=CC=C3C2=O)[O-])O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):