Geometry & MOs

Info

ID:	77895
PubChem CID:	49666478
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	8.99
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,5-dimethylanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CN2C=CC=C(C2=O)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations