Geometry & MOs

Info

ID:	414052
PubChem CID:	135087006
Reduced:	NSO3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	4.75
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-3-hydroxy-5-methyl-3-propyl-1,2-dihydroinden-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC3=CC=CC=C3[C@]2(CC4=CC=CC=C4)O

DOS

IR

Vibrations