Geometry & MOs

Info

ID:	128339
PubChem CID:	51040536
Reduced:	SF2N3O4C23H26 (2)
Stoich.:	AB2C3D4E23F26 (2)
Weight, g/mol:	356.090472
ΔH_f, kcal/mol:	-419.38
Dipole, Da:	10.23
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,7S)-3,4,8,9-tetramethylidene-2,7-dithiophen-2-yl-1,6-dioxecane

Drug info:

Smile

CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC(=C(C=C6)F)OC(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations