Geometry & MOs

Info

ID:

301806

PubChem CID:

123096446

Reduced:

SN4O4C28H30 (1)

Stoich.:

AB4C4D28E30 (1)

Weight, g/mol:

548.209341

ΔHf, kcal/mol:

-17.11

Dipole, Da:

8.7

IP(EA), eV:

 -8.83(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)CSC2=NN=C(N2/N=C\C3=CC=C(C=C3)OCC(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations