Geometry & MOs

Info

ID:	127673
PubChem CID:	51010742
Reduced:	FNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	641.155064
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	2.72
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S,8R,12S)-1,5-bis(tert-butylsulfanyl)-3,7,10-triphenyl-4,13-dithia-10-azatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3[C@H]2[C@H]([C@@H]1[C@H]3OC(=O)NC4=CC=C(C=C4)O)F

DOS

IR

Vibrations