Geometry & MOs

Info

ID:	150513
PubChem CID:	53790206
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-44.15
Dipole, Da:	4.5
IP(EA), eV:	-9.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) thian-4-yl carbonate

Drug info:

PubChemData

Smile

C1C(=NCC2=CC=CC=C2)COC1=O

DOS

IR

Vibrations