Geometry & MOs

Info

ID:	424452
PubChem CID:	135122718
Reduced:	OSF3N6C25H25 (1)
Stoich.:	ABC3D6E25F25 (1)
Weight, g/mol:	185.05105
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	4.75
IP(EA), eV:	-8.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 5-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=S)N/N=C/C=C/C2=CN=C(N=C2)N(C)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations