Geometry & MOs

Info

ID:	275582
PubChem CID:	103816677
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	4.74
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations