Geometry & MOs

Info

ID:	192647
PubChem CID:	78296046
Reduced:	N3O3H18C19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	296.013474
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853631
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-chlorophenyl)-3a,7a-dihydro-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CN1C2=[NH+]C3=C(C(=O)CCC3)C(=C2C(=O)N(C1=O)C)C4=CC=CC=C4

DOS

IR

Vibrations