Geometry & MOs

Info

ID:

301824

PubChem CID:

123096903

Reduced:

SN4O5C30H34 (1)

Stoich.:

AB4C5D30E34 (1)

Weight, g/mol:

514.224991

ΔHf, kcal/mol:

-65.69

Dipole, Da:

11.21

IP(EA), eV:

 -8.68(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-5-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C)OCC)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations