Geometry & MOs

Info

ID:

301812

PubChem CID:

123096750

Reduced:

SN4O5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

562.224991

ΔHf, kcal/mol:

-88.58

Dipole, Da:

11.26

IP(EA), eV:

 -8.78(-1.25)

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]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1C(=O)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)C

DOS

IR

Vibrations