Geometry & MOs

Info

ID:	135072
PubChem CID:	51808709
Reduced:	FSN2O5C21H22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	407.176644
ΔH_f, kcal/mol:	-198.61
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758805
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(4-oxospiro[3H-chromene-2,1'-cyclohexane]-7-yl)oxyacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations