Geometry & MOs

Info

ID:

301813

PubChem CID:

123096751

Reduced:

SN4O5C30H34 (1)

Stoich.:

AB4C5D30E34 (1)

Weight, g/mol:

548.209341

ΔHf, kcal/mol:

-71.78

Dipole, Da:

9.58

IP(EA), eV:

 -8.93(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C)OCC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations