Geometry & MOs

Info

ID:	43856
PubChem CID:	10321891
Reduced:	ClSN3O5C20H28 (1)
Stoich.:	ABC3D5E20F28 (1)
Weight, g/mol:	457.8936
ΔH_f, kcal/mol:	-206.6
Dipole, Da:	5.38
IP(EA), eV:	-9.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dibromo-1,3-bis(3-nitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations