Geometry & MOs

Info

ID:	195492
PubChem CID:	78694693
Reduced:	ClFON3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	3.41
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-6-(3-ethoxy-4-methoxyphenyl)hex-5-enoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations