Geometry & MOs

Info

ID:	324391
PubChem CID:	126677565
Reduced:	SF3N3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	419.118478
ΔH_f, kcal/mol:	-116.08
Dipole, Da:	3.71
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-13-hydroxy-2-[4-(methyldisulfanyl)but-1-enyl]-1-oxa-5,8,11-triazacyclopentadecane-4,7,10,15-tetrone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=C)C)C2=CC(=NC=C2)C(C)(C)C(F)(F)F

DOS

IR

Vibrations