Geometry & MOs

Info

ID:	319075
PubChem CID:	126654467
Reduced:	SO2N3C21H22 (2)
Stoich.:	AB2C3D21E22 (2)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	10.16
IP(EA), eV:	-8.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]ethoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=C(N=CS2)C)OCCOCCCOC3=CC=C(C=C3)C4=N[C@H](C5=NN=C(N5C6=C4C(=C(S6)C)C)C)CC(=O)NC7=CC=CC=C7

DOS

IR

Vibrations