Geometry & MOs

Info

ID:	447629
PubChem CID:	135284326
Reduced:	O2S2N3C11H11 (1)
Stoich.:	A2B2C3D11E11 (1)
Weight, g/mol:	277.036652
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	9.42
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(4-oxo-1H-pyrrolo[1,2-a][1,3,5]triazin-2-yl)pyrazole-4-carbonyl chloride

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=NC=NS3

DOS

IR

Vibrations