Geometry & MOs

Info

ID:	231100
PubChem CID:	87572641
Reduced:	FNO5C12H16 (2)
Stoich.:	ABC5D12E16 (2)
Weight, g/mol:	416.9741
ΔH_f, kcal/mol:	-481.46
Dipole, Da:	5.2
IP(EA), eV:	-9.01(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloropyridin-3-yl)methyl]-2-hydroxy-3-iodo-3,8-dihydro-1H-pyrido[1,2-c]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(O)OC2=NN(C(=C2CC3=CC(=C(C=C3F)OC)F)C)C(C)C)O)O)O

DOS

IR

Vibrations