Geometry & MOs

Info

ID:	164444
PubChem CID:	74400754
Reduced:	ClSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	4.76
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-(5-amino-2-methyl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3CC4CC4C3CNC(=O)C5=C6CCOC6=CC=C5

DOS

IR

Vibrations