Geometry & MOs

Info

ID:	338387
PubChem CID:	127259079
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	2.97
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylsulfanyl)-4-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=N1)OCCOC(=O)C

DOS

IR

Vibrations