Geometry & MOs

Info

ID:	38069
PubChem CID:	8026753
Reduced:	SF2N2O3C17H21 (1)
Stoich.:	AB2C2D3E17F21 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-160.97
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123058
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-(2-phenoxyethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)C1=CC(=C(C=C1)OC(F)F)OC)C2=CC=CS2

DOS

IR

Vibrations