Geometry & MOs

Info

ID:	443387
PubChem CID:	135258805
Reduced:	S2O3N5C25H27 (1)
Stoich.:	A2B3C5D25E27 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	3.87
IP(EA), eV:	-8.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3,3-dimethyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione

Drug info:

PubChemData

Smile

CCCCC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)C)SC5=NC=N4)CSC3

DOS

IR

Vibrations