Geometry & MOs

Info

ID:	341037
PubChem CID:	127263472
Reduced:	BrClO2S2N3H7C12 (1)
Stoich.:	ABC2D2E3F7G12 (1)
Weight, g/mol:	449.146597
ΔH_f, kcal/mol:	1.22
Dipole, Da:	3.42
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-(6-chloro-4-methoxycarbonylpyridin-2-yl)oxypyrimidin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)NC2=C3C(=CSC3=NC=N2)Br)Cl

DOS

IR

Vibrations