Geometry & MOs

Info

ID:	36333
PubChem CID:	8001811
Reduced:	ClNO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.075425
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C[NH2+]CCO)Cl)OCC=C

DOS

IR

Vibrations