Geometry & MOs

Info

ID:	398407
PubChem CID:	135033173
Reduced:	NS2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	335.135371
ΔH_f, kcal/mol:	71.6
Dipole, Da:	2.3
IP(EA), eV:	-8.29(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C=C\CCCCNC/C=C/SC2=CC=CC=C2

DOS

IR

Vibrations