Geometry & MOs

Info

ID:	293177
PubChem CID:	117375882
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	4.16
IP(EA), eV:	-8.66(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-(1-isocyanatocyclopentyl)-2-(methoxymethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations