Geometry & MOs

Info

ID:	287134
PubChem CID:	104233751
Reduced:	ClFNSO4H9C10 (1)
Stoich.:	ABCDE4F9G10 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	9.61
IP(EA), eV:	-9.75(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(2-fluoro-6-methoxyphenyl)-3-hydroxy-2-methylbutanenitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2CC(=O)N2S(=O)(=O)Cl

DOS

IR

Vibrations