Geometry & MOs

Info

ID:	418983
PubChem CID:	135107259
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	5.08
IP(EA), eV:	-9.04(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2-oxazol-5-yl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1CC[C@@H]([C@@](C1)(CC2=CC=CC=C2)CO)O

DOS

IR

Vibrations