Geometry & MOs

Info

ID:	34252
PubChem CID:	7890508
Reduced:	ClN2O5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	412.049585
ΔH_f, kcal/mol:	-204.28
Dipole, Da:	2.0
IP(EA), eV:	-9.58(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)COC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations