Geometry & MOs

Info

ID:	290911
PubChem CID:	111639026
Reduced:	FSO2N4C16H25 (1)
Stoich.:	ABC2D4E16F25 (1)
Weight, g/mol:	500.15607
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	4.0
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[[1-(3-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCCNS(=O)(=O)C)NCC1(CC1)C2=CC(=CC=C2)F

DOS

IR

Vibrations