Geometry & MOs

Info

ID:	301804
PubChem CID:	123096248
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	538.144154
ΔH_f, kcal/mol:	8.72
Dipole, Da:	6.68
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=CC=N2)SCC3=CC=C(O3)C(=O)OCC

DOS

IR

Vibrations