Geometry & MOs

Info

ID:	317114
PubChem CID:	126632533
Reduced:	NH25C36 (1)
Stoich.:	AB25C36 (1)
Weight, g/mol:	319.0667
ΔH_f, kcal/mol:	155.87
Dipole, Da:	2.35
IP(EA), eV:	-8.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-[1]benzothiolo[2,3-b]carbazole 5,5-dioxide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C5=CC=CC=C53)C6=CC=CC=C6C4(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations