Geometry & MOs

Info

ID:	401374
PubChem CID:	135051088
Reduced:	ClNSH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	107.78
Dipole, Da:	2.84
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aS,8bS)-7-oxo-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C#CSN(CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations