Geometry & MOs

Info

ID:	85073
PubChem CID:	49871585
Reduced:	SN2O3C27H36 (1)
Stoich.:	AB2C3D27E36 (1)
Weight, g/mol:	319.16037
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	5.02
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-oxidoindol-1-ium-3-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC(=S)[C@@H]3CCCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations