Geometry & MOs

Info

ID:	443551
PubChem CID:	135259304
Reduced:	SO3N7C24H31 (1)
Stoich.:	AB3C7D24E31 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	2.91
IP(EA), eV:	-8.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)NC2(N1C)CCCC2)/C=C(\C=O)/NC3=C4C=C(SC4=NC=N3)C(=O)NCCN(C)C

DOS

IR

Vibrations