Geometry & MOs

Info

ID:	189775
PubChem CID:	77903410
Reduced:	SN3O10C22H27 (1)
Stoich.:	AB3C10D22E27 (1)
Weight, g/mol:	297.94116
ΔH_f, kcal/mol:	-380.03
Dipole, Da:	4.41
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-oxo-2-thiophen-3-ylethyl)-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC(C3=CC=CO3)NC(=O)OC(C)(C)C)SC1)OC(=O)O

DOS

IR

Vibrations