Geometry & MOs

Info

ID:	59757
PubChem CID:	24896077
Reduced:	BrN2O2C44H89 (1)
Stoich.:	AB2C2D44E89 (1)
Weight, g/mol:	516.215489
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	48.07
IP(EA), eV:	-4.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCOCCC([NH3+])(CCOCCCCCCCC/C=C\CCCCCCCC)CCCN.[Br-]

DOS

IR

Vibrations