Geometry & MOs

Info

ID:	209552
PubChem CID:	80687536
Reduced:	ClNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	319.947012
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	4.92
IP(EA), eV:	-9.24(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2,5-difluoro-4-nitrophenoxy)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)OC3=NC(=C(S3)C=O)Cl

DOS

IR

Vibrations