Geometry & MOs

Info

ID:	169470
PubChem CID:	75107566
Reduced:	N3F6H13C18 (1)
Stoich.:	A3B6C13D18 (1)
Weight, g/mol:	345.085721
ΔH_f, kcal/mol:	-232.17
Dipole, Da:	5.86
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(5-phenyl-3H-1,2,4-dithiazol-3-yl)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1C(C(CN2C1=NC3=C2C=C(C=C3)C(F)(F)F)N)C4=CC(=C(C=C4F)F)F

DOS

IR

Vibrations