Geometry & MOs

Info

ID:	422916
PubChem CID:	135118610
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	454.165935
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	0.89
IP(EA), eV:	-8.43(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-phenyl-1H-indol-2-yl)-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC=CC=C3OCC4=CC=CC=C4

DOS

IR

Vibrations