Geometry & MOs

Info

ID:	398440
PubChem CID:	135033313
Reduced:	CH (24)
Stoich.:	AB (24)
Weight, g/mol:	355.142842
ΔH_f, kcal/mol:	109.81
Dipole, Da:	1.28
IP(EA), eV:	-8.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,8aR)-1-phenylsulfanyl-2-(phenylsulfanylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

Drug info:

PubChemData

Smile

CC1(CCC1(C)C2C=C3C=CC=CC3=C2)C4C=C5C=CC=CC5=C4

DOS

IR

Vibrations