Geometry & MOs

Info

ID:	58663
PubChem CID:	24712426
Reduced:	ClSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	277.077265
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	2.17
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CSC(=N1)COC2=CC(=CC=C2)Cl

DOS

IR

Vibrations