Geometry & MOs

Info

ID:	203065
PubChem CID:	79773893
Reduced:	OS2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	6.87
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCNC1=NC=C(S1)CN2C=CSC2=O

DOS

IR

Vibrations