Geometry & MOs

Info

ID:	179809
PubChem CID:	76534377
Reduced:	S2O5N6C11H18 (1)
Stoich.:	A2B5C6D11E18 (1)
Weight, g/mol:	296.069159
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	4.8
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-oxo-3-prop-2-ynyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

COCSCN1C(=O)N2C=NC(=C2NN1)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations