Geometry & MOs

Info

ID:	301732
PubChem CID:	123093683
Reduced:	SN4O4C28H36 (1)
Stoich.:	AB4C4D28E36 (1)
Weight, g/mol:	502.144154
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	7.9
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-5-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)OC)CCC)OCC

DOS

IR

Vibrations