Geometry & MOs

Info

ID:	431088
PubChem CID:	135171158
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	414.091549
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	3.85
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN[C@H]1CCC[C@H](C1)NCC2=NN=C(O2)C

DOS

IR

Vibrations