Geometry & MOs

Info

ID:	323214
PubChem CID:	126673702
Reduced:	S2F3N3O6C24H24 (1)
Stoich.:	A2B3C3D6E24F24 (1)
Weight, g/mol:	408.059149
ΔH_f, kcal/mol:	-326.13
Dipole, Da:	7.13
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,6-difluorocarbazol-9-yl)-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylic acid

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

C1[C@H]([C@@H]([C@H](CN1)N2C3=CC=CC=C3C4=CC=CC=C4S2(O)O)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

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

C1[C@H]([C@@H]([C@H](CN1)N2C3=CC=CC=C3C4=CC=CC=C4S2(O)O)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):