Geometry & MOs

Info

ID:	446931
PubChem CID:	135278905
Reduced:	N2O2S2C22H23 (1)
Stoich.:	A2B2C2D22E23 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	43.54
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.132100
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[6-[(2R)-1-(sulfanylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OCC2=CSC=C2)C3=C4C=CNC4=[N+](C(=C3)C)OC

DOS

IR

Vibrations