Geometry & MOs

Info

ID:	79670
PubChem CID:	49829925
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	422.113413
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	8.03
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)CN(C)C(C)C2=CC=CC=C2

DOS

IR

Vibrations