Geometry & MOs

Info

ID:	157794
PubChem CID:	56437276
Reduced:	FNOC11H13 (2)
Stoich.:	ABCD11E13 (2)
Weight, g/mol:	363.054084
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	1.12
IP(EA), eV:	-9.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl (E)-4,4,4-trifluoro-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NC(CC1=CC(=CC=C1)F)C2=CC(=CC=C2)F

DOS

IR

Vibrations