Geometry & MOs

Info

ID:	142204
PubChem CID:	53000266
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-199.52
Dipole, Da:	8.43
IP(EA), eV:	-8.73(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-[(3-methylphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(S(=O)(=O)N(C1=O)CC(=O)NCC2=CC=C(C=C2)OC(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations