Geometry & MOs

Info

ID:	153336
PubChem CID:	56312519
Reduced:	FNO2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	354.120213
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.34
IP(EA), eV:	-8.77(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations