Geometry & MOs

Info

ID:	413656
PubChem CID:	135086605
Reduced:	IO2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	1.72
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-3-hydroxy-3-methyl-1,2-dihydroinden-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2C[C@H](CC(O2)CCCCOCC3=CC=CC=C3)I

DOS

IR

Vibrations