Geometry & MOs

Info

ID:	273532
PubChem CID:	103771316
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	299.135528
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	2.26
IP(EA), eV:	-9.94(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC2=NC=CN=C2C=C1)O

DOS

IR

Vibrations