Geometry & MOs

Info

ID:	162246
PubChem CID:	57394046
Reduced:	N5O5C24H27 (1)
Stoich.:	A5B5C24D27 (1)
Weight, g/mol:	312.109648
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	5.28
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-N-(2-fluoroethyl)-N-methylaniline

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)NC(=O)C3(CCC(CC3)NCC4=CC5=C(N=C4)OCCO5)O

DOS

IR

Vibrations