Geometry & MOs

Info

ID:	403489
PubChem CID:	135060504
Reduced:	SN2O4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	414.00376
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	6.47
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-methyl-9-(4-methylphenyl)sulfonylpyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CCCCCC1=C2C3=CC=CC=C3N(C2=CN=C1C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations