Geometry & MOs

Info

ID:	144153
PubChem CID:	53322516
Reduced:	BrN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	515.153322
ΔH_f, kcal/mol:	28.12
Dipole, Da:	7.63
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-phenylmethoxyphenyl)-N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CN3C=C(N=C3Br)[N+](=O)[O-])O

DOS

IR

Vibrations