Geometry & MOs

Info

ID:	160545
PubChem CID:	57389006
Reduced:	SF3O3N6C8H9 (1)
Stoich.:	AB3C3D6E8F9 (1)
Weight, g/mol:	304.041231
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	6.14
IP(EA), eV:	-9.68(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(methylsulfanylmethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C2N=NN(C(=O)N2C=N1)CC(F)(F)F

DOS

IR

Vibrations