Geometry & MOs

Info

ID:	296990
PubChem CID:	117604970
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	301.038434
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	6.22
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(hydroxymethyl)-5-(trifluoromethyl)-1,2-thiazol-3-yl]phenyl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(CC(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations