Geometry & MOs

Info

ID:	421508
PubChem CID:	135116144
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-152.02
Dipole, Da:	3.68
IP(EA), eV:	-9.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations