Geometry & MOs

Info

ID:	413657
PubChem CID:	135086606
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	387.186815
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	5.32
IP(EA), eV:	-9.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-3-hexyl-3-hydroxy-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(C)O

DOS

IR

Vibrations