Geometry & MOs

Info

ID:	63968
PubChem CID:	26759582
Reduced:	ClSN3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	2.32
IP(EA), eV:	-9.2(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations