Geometry & MOs

Info

ID:	431173
PubChem CID:	135171243
Reduced:	O2F3N3C23H24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	400.075899
ΔH_f, kcal/mol:	-175.67
Dipole, Da:	5.12
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(5-morpholin-4-yl-1,3-dihydrobenzimidazol-2-ylidene)-7-phosphanylthieno[2,3-b]pyridine-4,6-dione

Drug info:

PubChemData

Smile

C1[C@@H](COC[C@@H]1N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC=CC=C4

DOS

IR

Vibrations