Geometry & MOs

Info

ID:	373942
PubChem CID:	131321561
Reduced:	OSCl2N3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	238.95058
ΔH_f, kcal/mol:	20.71
Dipole, Da:	1.25
IP(EA), eV:	-9.76(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-6-(difluoromethyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C2=NC(=O)C(S2)N)Cl)Cl

DOS

IR

Vibrations