Geometry & MOs

Info

ID:	276691
PubChem CID:	103824719
Reduced:	BrClOSN2H6C10 (1)
Stoich.:	ABCDE2F6G10 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	21.57
Dipole, Da:	5.9
IP(EA), eV:	-9.26(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CN=CS2)Cl)Br

DOS

IR

Vibrations