Geometry & MOs

Info

ID:	196954
PubChem CID:	78900215
Reduced:	SN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	388.162077
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	4.1
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NC2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations