Geometry & MOs

Info

ID:	147252
PubChem CID:	53786906
Reduced:	NO5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	198.082684
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	7.47
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-(1-methylimidazol-2-yl)pentane-1-thione

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1=CC=C(C=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations