Geometry & MOs

Info

ID:	40377
PubChem CID:	8144015
Reduced:	S2N5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	414.140199
ΔH_f, kcal/mol:	99.62
Dipole, Da:	13.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756630
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1'-benzyl-3-(4-ethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations