Geometry & MOs

Info

ID:

301823

PubChem CID:

123096895

Reduced:

SN4O5C28H30 (1)

Stoich.:

AB4C5D28E30 (1)

Weight, g/mol:

562.224991

ΔHf, kcal/mol:

-49.86

Dipole, Da:

5.72

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)SCC4=CC=C(O4)C(=O)OC(C)C

DOS

IR

Vibrations