Geometry & MOs

Info

ID:	224858
PubChem CID:	85489304
Reduced:	O3N5C21H39 (1)
Stoich.:	A3B5C21D39 (1)
Weight, g/mol:	307.068728
ΔH_f, kcal/mol:	-177.37
Dipole, Da:	5.82
IP(EA), eV:	-9.14(0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-methyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)pyrazolidin-3-olate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC(C)C)CC(=O)NC2CCCCCC2)N

DOS

IR

Vibrations