Geometry & MOs

Info

ID:	271892
PubChem CID:	103696896
Reduced:	BrSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	252.140868
ΔH_f, kcal/mol:	-198.24
Dipole, Da:	8.44
IP(EA), eV:	-9.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=C(C=C(C=C1)C(=O)O)Br

DOS

IR

Vibrations