Geometry & MOs

Info

ID:

301826

PubChem CID:

123097006

Reduced:

ClSN4O5C22H25 (1)

Stoich.:

ABC4D5E22F25 (1)

Weight, g/mol:

568.154719

ΔHf, kcal/mol:

-82.07

Dipole, Da:

10.03

IP(EA), eV:

 -9.05(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C(=C(C=C2)OC)OC)Cl)SCC3=CC=C(O3)C(=O)OC(C)C

DOS

IR

Vibrations