Geometry & MOs

Info

ID:	138015
PubChem CID:	52300431
Reduced:	ClN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	372.010874
ΔH_f, kcal/mol:	-20.64
Dipole, Da:	8.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752982
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-[(2-chloro-4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetate

Drug info:

PubChemData

Smile

C[NH+](C)CCOC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations