Geometry & MOs

Info

ID:	301701
PubChem CID:	123092408
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	63.65
Dipole, Da:	2.68
IP(EA), eV:	-9.08(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-ethyl-4-[(Z)-furan-2-ylmethylideneamino]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C\2/C(=NC3=CC=CC=C32)C)SCC4=CC(=CC=C4)C(=O)OC

DOS

IR

Vibrations