Geometry & MOs

Info

ID:	372411
PubChem CID:	131297245
Reduced:	ClNSF3H5O5C7 (1)
Stoich.:	ABCD3E5F5G7 (1)
Weight, g/mol:	181.053907
ΔH_f, kcal/mol:	-323.57
Dipole, Da:	3.57
IP(EA), eV:	-9.9(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(hydroxymethyl)-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1S(=O)(=O)Cl)OC(F)(F)F)O

DOS

IR

Vibrations