Geometry & MOs

Info

ID:	352749
PubChem CID:	127283838
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	356.151826
ΔH_f, kcal/mol:	-115.76
Dipole, Da:	3.34
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-oxo-1,4-thiazinan-4-yl)acetyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCS(=O)CC3

DOS

IR

Vibrations