Geometry & MOs

Info

ID:	301795
PubChem CID:	123095988
Reduced:	SN4O5C27H36 (1)
Stoich.:	AB4C5D27E36 (1)
Weight, g/mol:	520.154719
ΔH_f, kcal/mol:	-103.39
Dipole, Da:	6.33
IP(EA), eV:	-8.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OCC)CCC)OCC

DOS

IR

Vibrations