Geometry & MOs

Info

ID:	173544
PubChem CID:	75651565
Reduced:	N3O5C27H28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	374.190223
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	7.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.519320
Charge, e:	1

Chem-info

IUPAC name:

[2-(benzylsulfonylamino)-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)OC1=CC2=C(C=C1)N3C4=C2C=C[NH+]=C4C5=C(C3=O)C(=C(C=C5)OC)OC

DOS

IR

Vibrations