Geometry & MOs

Info

ID:	146452
PubChem CID:	53691753
Reduced:	SN3O7C28H35 (1)
Stoich.:	AB3C7D28E35 (1)
Weight, g/mol:	327.056529
ΔH_f, kcal/mol:	-205.76
Dipole, Da:	10.53
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(benzenesulfonyl)indol-2-yl]propane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)CN(CC([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=[N+](C=C2)[O-])O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations