Geometry & MOs

Info

ID:	82597
PubChem CID:	49856226
Reduced:	SO2N3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	243.01694
ΔH_f, kcal/mol:	65.72
Dipole, Da:	5.71
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[4-[di((113C)methyl)amino]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C/C(=C\3/NNC(=S)O3)/C4=C(C2=O)N=CC=C4

DOS

IR

Vibrations