Geometry & MOs

Info

ID:	301790
PubChem CID:	123095582
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	490.167477
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	7.29
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OCC)C)OC

DOS

IR

Vibrations