Geometry & MOs

Info

ID:	160544
PubChem CID:	57389005
Reduced:	SF3O4N6H13C14 (1)
Stoich.:	AB3C4D6E13F14 (1)
Weight, g/mol:	326.040894
ΔH_f, kcal/mol:	-189.48
Dipole, Da:	3.74
IP(EA), eV:	-8.91(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNS(=O)(=O)C2=C3N=NN(C(=O)N3C=N2)CC(F)(F)F

DOS

IR

Vibrations