Geometry & MOs

Info

ID:	70174
PubChem CID:	47208408
Reduced:	BrNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	264.073262
ΔH_f, kcal/mol:	0.43
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCSC2=CC=CC=C2Br

DOS

IR

Vibrations