Geometry & MOs

Info

ID:	290906
PubChem CID:	111637137
Reduced:	IS2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	526.1241
ΔH_f, kcal/mol:	54.24
Dipole, Da:	0.91
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=NC)NCC2(CCCCC2)C3=CC=CS3.I

DOS

IR

Vibrations