Geometry & MOs

Info

ID:	141124
PubChem CID:	52820943
Reduced:	BrClNOSC15H15 (1)
Stoich.:	ABCDEF15G15 (1)
Weight, g/mol:	370.97463
ΔH_f, kcal/mol:	11.06
Dipole, Da:	2.22
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-bromophenyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1CC2=CC=C(S2)Cl)C3=CC(=CC=C3)Br

DOS

IR

Vibrations