Geometry & MOs

Info

ID:	289720
PubChem CID:	104369726
Reduced:	ClFN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	312.069927
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	4.77
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(3-ethylthiophen-2-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCN2C(=O)C(=C(NC2=O)Cl)C

DOS

IR

Vibrations