Geometry & MOs

Info

ID:	133172
PubChem CID:	51486961
Reduced:	ClSO2N3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	440.00416
ΔH_f, kcal/mol:	-21.94
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871941
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)SCC(=O)N[C@H](C)C2=CC=CC=C2Cl)[O-]

DOS

IR

Vibrations