Geometry & MOs

Info

ID:	148292
PubChem CID:	53787954
Reduced:	SSiN3O4C25H45 (1)
Stoich.:	ABC3D4E25F45 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-226.35
Dipole, Da:	2.9
IP(EA), eV:	-8.54(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-4-[2-(7-methyl-2,6-dioxo-1,3-dipropylpurin-8-yl)ethenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)C2CCN(CC2)S(=O)(=O)N3CCCC[C@@H]3C(=O)OC

DOS

IR

Vibrations