Geometry & MOs

Info

ID:	178294
PubChem CID:	76309523
Reduced:	NOSC6H6 (2)
Stoich.:	ABCD6E6 (2)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	1.33
Dipole, Da:	5.78
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(N(C(=S)NC1=O)OC)SC2=CC=CC=C2

DOS

IR

Vibrations