Geometry & MOs

Info

ID:

407302

PubChem CID:

135079767

Reduced:

PSN4O4C26H30 (2)

Stoich.:

ABC4D4E26F30 (2)

Weight, g/mol:

358.000133

ΔHf, kcal/mol:

-308.67

Dipole, Da:

5.06

IP(EA), eV:

 -8.69(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-[(4-chlorodithiazol-5-ylidene)amino]-1,3-diphenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCOP(=O)(OCC3=CC=CC=C3)CC4=CC=CC=C4)/CCOP(=O)(OCC5=CC=CC=C5)CC6=CC=CC=C6)/C)C=O

DOS

IR

Vibrations