Geometry & MOs

Info

ID:	171643
PubChem CID:	75409673
Reduced:	ClO2S4N5C18H22 (1)
Stoich.:	AB2C4D5E18F22 (1)
Weight, g/mol:	499.041185
ΔH_f, kcal/mol:	28.15
Dipole, Da:	5.97
IP(EA), eV:	-8.38(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1,3-benzothiazol-2-yl)-4-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]but-3-enoic acid

Drug info:

PubChemData

Smile

C=CCN\1C(=C(S/C1=N/S(=O)(=O)C2=CC=CS2)/C=N/NC(=S)NC3CCCCC3)Cl

DOS

IR

Vibrations