Geometry & MOs

Info

ID:	46626
PubChem CID:	10525723
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	412.022135
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	3.6
IP(EA), eV:	-9.09(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methylsulfonyl-N-(1-oxo-6-pyridin-3-ylsulfanyl-2,3-dihydroinden-5-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H](CO[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)N4C=C(C(=O)NC4=O)C5=CC=CS5

DOS

IR

Vibrations