Geometry & MOs

Info

ID:	34263
PubChem CID:	7890566
Reduced:	ClNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	402.088557
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	3.74
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations