Geometry & MOs

Info

ID:

227317

PubChem CID:

87561220

Reduced:

ClOH15C27 (1)

Stoich.:

ABC15D27 (1)

Weight, g/mol:

641.003617

ΔHf, kcal/mol:

101.41

Dipole, Da:

3.17

IP(EA), eV:

 -8.64(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

calcium;[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

C1=CC=C2C(=C1)C3=C(C2=C4C5=CC=CC=C5C6=CC=CC=C64)C(=C(C=C3)Cl)C=O

DOS

IR

Vibrations