Geometry & MOs

Info

ID:	225454
PubChem CID:	85786957
Reduced:	N3O4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	183.0354
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	3.84
IP(EA), eV:	-9.76(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-sulfanylidenepyridin-1-yl) acetate

Drug info:

PubChemData

Smile

CC1=NOC(=O)C1=CNC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations