Geometry & MOs

Info

ID:	185840
PubChem CID:	77357844
Reduced:	F2O5C6H10 (1)
Stoich.:	A2B5C6D10 (1)
Weight, g/mol:	538.269239
ΔH_f, kcal/mol:	-336.94
Dipole, Da:	2.24
IP(EA), eV:	-10.8(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-butyl-4-methyl-6-oxo-1-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)(O)F)O)O)O)F

DOS

IR

Vibrations