Geometry & MOs

Info

ID:	19483
PubChem CID:	565236
Reduced:	SN4O4H10C14 (1)
Stoich.:	AB4C4D10E14 (1)
Weight, g/mol:	330.042276
ΔH_f, kcal/mol:	36.2
Dipole, Da:	9.12
IP(EA), eV:	-9.27(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations