Geometry & MOs

Info

ID:	279369
PubChem CID:	103843491
Reduced:	NSF2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-196.31
Dipole, Da:	7.07
IP(EA), eV:	-9.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-phenylethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=CC=C1SC(F)F)CO

DOS

IR

Vibrations