Geometry & MOs

Info

ID:	44600
PubChem CID:	10504305
Reduced:	FN2O2Cl3C21H26 (1)
Stoich.:	AB2C2D3E21F26 (1)
Weight, g/mol:	464.146466
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	19.33
IP(EA), eV:	-7.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-hydroxy-1-[(1S,6R)-6-hydroxy-5-methylidene-8,10-dioxo-2-oxa-7,9-diazabicyclo[4.2.2]decan-1-yl]-2-methyl-3-(oxan-2-yloxy)propyl] methanesulfonate

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[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)C(=O)/C=C/C2=C(C=CC=C2Cl)F.[Cl-].[Cl-]

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[NH+](C)CC1=CC(=CC(=C1O)C[NH+](C)C)C(=O)/C=C/C2=C(C=CC=C2Cl)F.[Cl-].[Cl-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):