Geometry & MOs

Info

ID:	160630
PubChem CID:	57389269
Reduced:	SF3O3N5C8H8 (1)
Stoich.:	AB3C3D5E8F8 (1)
Weight, g/mol:	282.053509
ΔH_f, kcal/mol:	-198.69
Dipole, Da:	6.84
IP(EA), eV:	-10.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-4-oxo-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C(=O)N(N=N2)CC(F)(F)F)S(=O)(=O)C

DOS

IR

Vibrations