Geometry & MOs

Info

ID:	186403
PubChem CID:	77427307
Reduced:	BrOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	33.49
Dipole, Da:	3.21
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,6-dimethyl-5-propyl-6-(5-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=C)C1=CC=C(C=C1)C2C(=O)N(C(=NC2(C)C3=CC(=CS3)Br)N)C

DOS

IR

Vibrations