Geometry & MOs

Info

ID:	160571
PubChem CID:	57389080
Reduced:	O2Cl3N4H19C23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	268.037859
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	8.07
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)COC2=C(N=CC(=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl)N)Cl

DOS

IR

Vibrations