Geometry & MOs

Info

ID:	141120
PubChem CID:	52820791
Reduced:	BrSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	406.06922
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	1.12
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC1=NC(=CS1)CN2CCO[C@@H](C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations