Geometry & MOs

Info

ID:

227322

PubChem CID:

87561239

Reduced:

SN3O7C19H27 (1)

Stoich.:

AB3C7D19E27 (1)

Weight, g/mol:

647.020564

ΔHf, kcal/mol:

-239.11

Dipole, Da:

9.6

IP(EA), eV:

 -8.66(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[6-amino-2-[[2-(4-chlorophenyl)-2H-1,3-thiazol-3-id-4-yl]methylsulfanyl]-3-cyano-4-[4-(2-phosphonooxyethoxy)phenyl]-2H-pyridin-5-ylidene]methylideneazanide

Drug info:

PubChemData

Smile

COCCCNCC1=CC(=C(C=C1)OC2=NC=C(C=C2)C(=O)N)OC.CS(=O)(=O)O

DOS

IR

Vibrations