Geometry & MOs

Info

ID:	290607
PubChem CID:	109766196
Reduced:	ICl3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	525.0229
ΔH_f, kcal/mol:	41.17
Dipole, Da:	2.95
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC(=C(N1C)Cl)Cl)NCCC2=CN=C(C=C2)Cl.I

DOS

IR

Vibrations