Geometry & MOs

Info

ID:	380267
PubChem CID:	134970659
Reduced:	NSiO3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	443.194402
ΔH_f, kcal/mol:	-160.58
Dipole, Da:	4.08
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]carbamate

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@@]12CCC[C@@H]([C@@]13C(=O)C=C([C@@H](C2)O3)C#N)CO[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@@]12CCC[C@@H]([C@@]13C(=O)C=C([C@@H](C2)O3)C#N)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):