Geometry & MOs

Info

ID:	291271
PubChem CID:	111978365
Reduced:	BrISO2N4C18H30 (1)
Stoich.:	ABCD2E4F18G30 (1)
Weight, g/mol:	550.18384
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	5.81
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-[1-(2-methylsulfonylethyl)piperidin-4-yl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCN(CC2)CCS(=O)(=O)C.I

DOS

IR

Vibrations