Geometry & MOs

Info

ID:	160543
PubChem CID:	57389003
Reduced:	SO4C6N6H8 (1)
Stoich.:	AB4C6D6E8 (1)
Weight, g/mol:	418.067109
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	5.94
IP(EA), eV:	-10.43(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCN1C(=O)N2C=NC(=C2N=N1)S(=O)(=O)N

DOS

IR

Vibrations