Geometry & MOs

Info

ID:	85695
PubChem CID:	49878274
Reduced:	N5O6H9C15 (1)
Stoich.:	A5B6C9D15 (1)
Weight, g/mol:	591.10387
ΔH_f, kcal/mol:	80.82
Dipole, Da:	3.48
IP(EA), eV:	-9.94(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations