Geometry & MOs

Info

ID:	366117
PubChem CID:	127319478
Reduced:	S2O3N5C11H13 (1)
Stoich.:	A2B3C5D11E13 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	5.64
IP(EA), eV:	-9.99(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations