Geometry & MOs

Info

ID:	443449
PubChem CID:	135259071
Reduced:	SN5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	439.131425
ΔH_f, kcal/mol:	87.4
Dipole, Da:	4.42
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N=CN=C2S1)N/C(=C/C(=C\3/C(=C)NC4(N3C)CCCCC4)/C)/C=C

DOS

IR

Vibrations