Geometry & MOs

Info

ID:	383041
PubChem CID:	134974539
Reduced:	N5O12C39H47 (1)
Stoich.:	A5B12C39D47 (1)
Weight, g/mol:	466.21709
ΔH_f, kcal/mol:	-463.24
Dipole, Da:	6.31
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[phenyl(trityloxy)methyl]-3H-indol-1-ium

Drug info:

PubChemData

Smile

C[C@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)N2C=C(N=N2)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)COC(=O)C

DOS

IR

Vibrations