Geometry & MOs

Info

ID:	264471
PubChem CID:	103463471
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	284.155849
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	1.82
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,2-dimethylbutyl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations