Geometry & MOs

Info

ID:	301833
PubChem CID:	123097024
Reduced:	SN4O5C27H36 (1)
Stoich.:	AB4C5D27E36 (1)
Weight, g/mol:	528.240641
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	5.78
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[4-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(O3)C(=O)OC(C)C)CC)OC

DOS

IR

Vibrations