Geometry & MOs

Info

ID:	398408
PubChem CID:	135033174
Reduced:	LiNS2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	329.127192
ΔH_f, kcal/mol:	50.05
Dipole, Da:	7.5
IP(EA), eV:	-7.69(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-phenylsulfanyl-4-(phenylsulfanylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

[Li+].CC1C(C(CN1C)[CH-]SC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations