Geometry & MOs

Info

ID:	137264
PubChem CID:	52179674
Reduced:	SN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	360.184921
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.891479
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC[C@@H](C1=CC(=CC=C1)OC)[NH+](C)C)SC2=CC=CC=C2

DOS

IR

Vibrations