Geometry & MOs

Info

ID:	290702
PubChem CID:	109817161
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	531.13762
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	5.35
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC=C(C=C2)OC3=CC=CC=C3OC

DOS

IR

Vibrations