Geometry & MOs

Info

ID:	37452
PubChem CID:	8021250
Reduced:	FNSO5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	400.089306
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	7.21
IP(EA), eV:	-9.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@H](C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations