Geometry & MOs

Info

ID:	204993
PubChem CID:	80041337
Reduced:	SBr2F4H8C13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	275.002798
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	3.69
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(C2=C(C=CC(=C2)C(F)(F)F)F)Br)Br

DOS

IR

Vibrations