Geometry & MOs

Info

ID:	58785
PubChem CID:	24714857
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	5.57
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC2=NC(=CS2)CN(C(C)C)C(=O)C)C

DOS

IR

Vibrations