Geometry & MOs

Info

ID:	49972
PubChem CID:	11538551
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	398.103335
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	5.68
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-7-(2-methoxyethoxymethyl)-6-methylpyrrolo[3,4-e]indole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCCC3=CC=CC=C3

DOS

IR

Vibrations