Geometry & MOs

Info

ID:	228464
PubChem CID:	87564626
Reduced:	FO2S2N6H15C22 (1)
Stoich.:	AB2C2D6E15F22 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	82.86
Dipole, Da:	7.85
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethyl-1,3-dihydrobenzimidazol-2-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)OC6=CC=C(C=C6)F

DOS

IR

Vibrations