Geometry & MOs

Info

ID:	449394
PubChem CID:	135298250
Reduced:	SN3O4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	470.02998
ΔH_f, kcal/mol:	-148.23
Dipole, Da:	4.66
IP(EA), eV:	-8.59(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-1-(4-methylphenyl)sulfonylindol-2-yl]-(5-methylpyridin-2-yl)methanol

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N[C@@H](CO)C3=NC=C(C=C3)S(=O)(=O)CC)C=C1CC4CCC(CC4)C

DOS

IR

Vibrations