Geometry & MOs

Info

ID:	307841
PubChem CID:	125309802
Reduced:	O2S2N5C17H19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	18.14
Dipole, Da:	5.45
IP(EA), eV:	-8.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,3aS,6aS)-1-(2-ethylsulfanylethyl)-5-(4-methylphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H]2NC=CS2)C(=O)C3=NN=C(C3)C4=CC=CS4

DOS

IR

Vibrations