Geometry & MOs

Info

ID:	34270
PubChem CID:	7890585
Reduced:	ClNSO4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	398.060629
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	4.76
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations