Geometry & MOs

Info

ID:	327982
PubChem CID:	126691617
Reduced:	F2N3O3H25C26 (1)
Stoich.:	A2B3C3D25E26 (1)
Weight, g/mol:	272.109568
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	5.95
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(1,3-dimethyl-2,4-dimethylidenepyrrolo[3,4-d]pyrimidin-5-ylidene)-4-methyl-3H-1,3-thiazole

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=CC=CC=C4OC)C5=CC(=CC(=C5)F)F

DOS

IR

Vibrations