Geometry & MOs

Info

ID:	136805
PubChem CID:	52103347
Reduced:	SO2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	468.138188
ΔH_f, kcal/mol:	87.84
Dipole, Da:	7.43
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enimidate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C=CC=C2/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)COC5=CC=CC=C5C)C

DOS

IR

Vibrations