Geometry & MOs

Info

ID:	338383
PubChem CID:	127259075
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	396.96196
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	4.6
IP(EA), eV:	-9.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromophenyl)sulfinyl-(4-nitrophenyl)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=O)NC1=CC=CC=C1C(=O)C2=CC=CC=C2

DOS

IR

Vibrations