Geometry & MOs

Info

ID:	140219
PubChem CID:	52664540
Reduced:	OCl2N2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	428.200788
ΔH_f, kcal/mol:	-1.25
Dipole, Da:	5.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.149109
Charge, e:	1

Chem-info

IUPAC name:

benzyl-cyclohexyl-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCC[NH+](CC1=C(ON=C1C)C)[C@@H](C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations