Geometry & MOs

Info

ID:	34330
PubChem CID:	7890804
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	369.043771
ΔH_f, kcal/mol:	-198.32
Dipole, Da:	7.22
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC=C(C=C2)N)C

DOS

IR

Vibrations