Geometry & MOs

Info

ID:	338404
PubChem CID:	127259096
Reduced:	BrSO3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	270.98441
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	4.07
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromoanilino)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCS(=O)C1=CC2=CC=CC=C2C=C1Br

DOS

IR

Vibrations