Geometry & MOs

Info

ID:

225877

PubChem CID:

87235895

Reduced:

S2N4O6C21H24 (1)

Stoich.:

A2B4C6D21E24 (1)

Weight, g/mol:

463.102434

ΔHf, kcal/mol:

-205.8

Dipole, Da:

3.82

IP(EA), eV:

 -9.31(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-cyano-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-N-propan-2-yl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CCN1C2=C(C=CC=N2)C(=O)/C(=C\3/NC4=C(C(=CS4)COCOC)S(=O)(=O)N3)/C1=O

DOS

IR

Vibrations