Geometry & MOs

Info

ID:

301842

PubChem CID:

123097368

Reduced:

SO3N5C26H31 (1)

Stoich.:

AB3C5D26E31 (1)

Weight, g/mol:

562.224991

ΔHf, kcal/mol:

-5.56

Dipole, Da:

8.2

IP(EA), eV:

 -8.73(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CN(C3=CC=CC=C32)CC)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations