Geometry & MOs

Info

ID:	31790
PubChem CID:	3718219
Reduced:	NPO6C23H34 (1)
Stoich.:	ABC6D23E34 (1)
Weight, g/mol:	488.098826
ΔH_f, kcal/mol:	-262.47
Dipole, Da:	6.68
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]sulfanyl-5-fluoro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations