Geometry & MOs

Info

ID:	301794
PubChem CID:	123095981
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	528.240641
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	5.58
IP(EA), eV:	-9.13(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N/C=C/2\C(=O)C=CC3=CC=CC=C32)SCC4=CC=C(O4)C(=O)OCC

DOS

IR

Vibrations