Geometry & MOs

Info

ID:	396437
PubChem CID:	135028416
Reduced:	NBr2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	582.32509
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	5.0
IP(EA), eV:	-9.63(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3aS,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-6-yl]-3-[[tert-butyl(diphenyl)silyl]oxymethyl]but-3-en-2-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)OC1C2C=CC1C3C2[C@@]4(C3(C(=O)N(C4=O)C)Br)Br

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)OC1C2C=CC1C3C2[C@@]4(C3(C(=O)N(C4=O)C)Br)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):