Geometry & MOs

Info

ID:	282925
PubChem CID:	103945934
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	307.119541
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	3.66
IP(EA), eV:	-8.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CC2=C(S1)N=C3N2C=CS3

DOS

IR

Vibrations