Geometry & MOs

Info

ID:	291388
PubChem CID:	112256679
Reduced:	ClO2S2N5C16H22 (1)
Stoich.:	AB2C2D5E16F22 (1)
Weight, g/mol:	519.00184
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	6.45
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenyl)-2-hydroxybutyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CNC(=NC)NCCNS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations