Geometry & MOs

Info

ID:	273260
PubChem CID:	103770783
Reduced:	FNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	230.108899
ΔH_f, kcal/mol:	-184.17
Dipole, Da:	2.22
IP(EA), eV:	-9.04(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCOC1=CC=C(C=C1)F)O

DOS

IR

Vibrations