Geometry & MOs

Info

ID:	415583
PubChem CID:	135088579
Reduced:	FSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	462.247835
ΔH_f, kcal/mol:	-222.79
Dipole, Da:	5.88
IP(EA), eV:	-9.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-(2-hydroxyacetyl)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COC2=CC=C(C=C2)F

DOS

IR

Vibrations