Geometry & MOs

Info

ID:	85845
PubChem CID:	49879692
Reduced:	S2N3O3H25C27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	614.85131
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	4.94
IP(EA), eV:	-8.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

1-piperazin-1-yl-3-(1,3,6-tribromocarbazol-9-yl)propan-2-ol;dichloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@H]4C[C@@H]([C@H]3SC5=C2SC(=O)N5)[C@@H]6[C@@H]4C(=O)N(C6=O)C7=CC=CC=C7

DOS

IR

Vibrations