Geometry & MOs

Info

ID:

301835

PubChem CID:

123097133

Reduced:

SN4O4C26H28 (1)

Stoich.:

AB4C4D26E28 (1)

Weight, g/mol:

548.10929

ΔHf, kcal/mol:

-27.43

Dipole, Da:

11.83

IP(EA), eV:

 -8.87(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C=CC3=CC=CC=C32)OC)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations