Geometry & MOs

Info

ID:	277594
PubChem CID:	103829747
Reduced:	FSN2O4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	222.080456
ΔH_f, kcal/mol:	-157.22
Dipole, Da:	1.13
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropan-2-yl)-4-fluoro-2-hydroxybenzamide

Drug info:

PubChemData

Smile

COC(=O)CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)F)O

DOS

IR

Vibrations