Geometry & MOs

Info

ID:	178049
PubChem CID:	76269559
Reduced:	NSO7C24H27 (1)
Stoich.:	ABC7D24E27 (1)
Weight, g/mol:	457.01947
ΔH_f, kcal/mol:	-249.16
Dipole, Da:	11.09
IP(EA), eV:	-9.13(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)ethyl 2-[(4-methoxyphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)C)C(=CC(=O)O2)COC(=O)C(C)NS(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations