Geometry & MOs

Info

ID:	32989
PubChem CID:	7849987
Reduced:	NSO7H17C19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	409.98236
ΔH_f, kcal/mol:	-232.72
Dipole, Da:	5.14
IP(EA), eV:	-9.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromophenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations