Geometry & MOs

Info

ID:	395049
PubChem CID:	135024519
Reduced:	NC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	459.049353
ΔH_f, kcal/mol:	6.46
Dipole, Da:	3.7
IP(EA), eV:	-10.66(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-(4-oxo-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H](C1)[N+]#[C-])C(C)C

DOS

IR

Vibrations