Geometry & MOs

Info

ID:	279129
PubChem CID:	103841547
Reduced:	BrClSN2O2H8C12 (1)
Stoich.:	ABCD2E2F8G12 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	2.98
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=CS2)C(=O)N)Br)Cl

DOS

IR

Vibrations