Geometry & MOs

Info

ID:	83625
PubChem CID:	49859201
Reduced:	O3C13H13 (2)
Stoich.:	A3B13C13 (2)
Weight, g/mol:	413.06266
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,3R)-4-bromo-4'-methyl-2'-(phenylmethoxymethyl)spiro[1H-indole-3,6'-2,5-dihydropyran]-2-one

Drug info:

PubChemData

Smile

CCCC[C@]12CC3=CC(=C(C=C3[C@H](O1)C4=C(O2)C=C(OC4=O)C5=CC=CC=C5)OC)OC

DOS

IR

Vibrations