Geometry & MOs

Info

ID:	214594
PubChem CID:	85083251
Reduced:	SN3O12C22H25 (1)
Stoich.:	AB3C12D22E25 (1)
Weight, g/mol:	555.104639
ΔH_f, kcal/mol:	-377.6
Dipole, Da:	3.93
IP(EA), eV:	-10.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(2-cyclopropylethyl)-6-fluoro-2,4-dioxoquinolin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]-2H-1,3-thiazole-2-carboxamide

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

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)N3C=CN=C3[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)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

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)N3C=CN=C3[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):