Geometry & MOs

Info

ID:	73041
PubChem CID:	48416869
Reduced:	SO3N5H11C14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	314.004451
ΔH_f, kcal/mol:	49.42
Dipole, Da:	6.36
IP(EA), eV:	-9.52(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations