Geometry & MOs

Info

ID:	193697
PubChem CID:	78426067
Reduced:	FCl2S2O3N7H10C18 (1)
Stoich.:	AB2C2D3E7F10G18 (1)
Weight, g/mol:	506.974185
ΔH_f, kcal/mol:	37.54
Dipole, Da:	10.4
IP(EA), eV:	-8.88(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-cyano-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyrazolo[1,5-a]pyrimidin-6-yl]-2-(2,6-dichlorophenyl)ethenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)C2=C3N=CC(=CN3N(C2=O)C#N)NS(=O)(=O)/C=C/C4=C(C=CC(=C4Cl)F)Cl

DOS

IR

Vibrations