Geometry & MOs

Info

ID:	46291
PubChem CID:	10523747
Reduced:	O2F3N5H16C17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	379.018429
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	4.61
IP(EA), eV:	-9.07(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4aR,7aS)-5,7-dioxo-6-phenyl-4a,7a-dihydro-[1,4]dithiino[2,3-c]pyrrole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(/C(=C/2\NNN=N2)/C(=N1)C)C3=CC=CC=C3C(F)(F)F)C(=O)OC

DOS

IR

Vibrations