Geometry & MOs

Info

ID:	443511
PubChem CID:	135259226
Reduced:	SF2O3N6H24C27 (1)
Stoich.:	AB2C3D6E24F27 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	5.44
IP(EA), eV:	-9.06(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-6-[(5-methylquinazolin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,3'-thietane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6CC(C6)C#CC=C)CCC(CC3)(F)F

DOS

IR

Vibrations