Geometry & MOs

Info

ID:	426763
PubChem CID:	135153759
Reduced:	BrOSF2N3H8C11 (1)
Stoich.:	ABCD2E3F8G11 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	2.8
IP(EA), eV:	-9.34(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4,6-dimethoxypyrimidin-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=C(N=NS2)C(F)F)Br

DOS

IR

Vibrations