Geometry & MOs

Info

ID:	402426
PubChem CID:	135055920
Reduced:	SN2O6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	440.086449
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	3.8
IP(EA), eV:	-10.14(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,9bS)-5-(4-methylphenyl)sulfonyl-10-methylsulfonyl-4b,9b-dihydroindolo[3,2-b]indole

Drug info:

PubChemData

Smile

CC(=O)OC1(CCCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations