Geometry & MOs

Info

ID:	446461
PubChem CID:	135275169
Reduced:	SN2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	547.981785
ΔH_f, kcal/mol:	66.14
Dipole, Da:	1.57
IP(EA), eV:	-9.25(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-amino-5-fluoro-2-thionitrosophenyl)-10-(3-amino-6-fluoro-2-thionitrosophenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ylidene]propanedinitrile

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)(CCC(C)(C)C1=CC=CC2=NSN=C21)C3=CC=CC=C3

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)(CCC(C)(C)C1=CC=CC2=NSN=C21)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):