Geometry & MOs

Info

ID:	301801
PubChem CID:	123096086
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	11.64
IP(EA), eV:	-8.99(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-[(Z)-(4-butoxyphenyl)methylideneamino]-5-butyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=CC=C2OCC)SCC3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations