Geometry & MOs

Info

ID:	228630
PubChem CID:	87565449
Reduced:	S2O4N6H16C23 (1)
Stoich.:	A2B4C6D16E23 (1)
Weight, g/mol:	523.18894
ΔH_f, kcal/mol:	67.34
Dipole, Da:	9.21
IP(EA), eV:	-8.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]-6-oxodiazinan-3-yl]thiophen-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)OC6=CC7=C(C=C6)OCO7

DOS

IR

Vibrations