Geometry & MOs

Info

ID:	301792
PubChem CID:	123095790
Reduced:	SN4O5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	506.06234
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	11.16
IP(EA), eV:	-9.1(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1C(=O)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OCC)CC

DOS

IR

Vibrations