Geometry & MOs

Info

ID:	291323
PubChem CID:	111978637
Reduced:	IOSN5C22H32 (1)
Stoich.:	ABCD5E22F32 (1)
Weight, g/mol:	525.96991
ΔH_f, kcal/mol:	9.5
Dipole, Da:	4.79
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=NC)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations