Geometry & MOs

Info

ID:	301798
PubChem CID:	123095995
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	478.107769
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	7.2
IP(EA), eV:	-8.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-(2-chloro-3-hydroxy-4-methoxyphenyl)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=CC=C(C2=O)OCC)SCC3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations