Geometry & MOs

Info

ID:	290608
PubChem CID:	109766544
Reduced:	ISCl2O2N5C14H26 (1)
Stoich.:	ABC2D2E5F14G26 (1)
Weight, g/mol:	482.01371
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	10.05
IP(EA), eV:	-8.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)CCNC(=NC)NCC1=CC(=C(N1C)Cl)Cl.I

DOS

IR

Vibrations