Geometry & MOs

Info

ID:	160153
PubChem CID:	57304869
Reduced:	N2F3O4H21C25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	233.018036
ΔH_f, kcal/mol:	-238.64
Dipole, Da:	4.07
IP(EA), eV:	-9.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-hydroxy-2-sulfanylidene-1,3-thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=CCN(CC3)C(=O)C)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations