Geometry & MOs

Info

ID:	425329
PubChem CID:	135125946
Reduced:	SF2O3N5C22H25 (1)
Stoich.:	AB2C3D5E22F25 (1)
Weight, g/mol:	272.086015
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorobenzoic acid

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC4CCC4)F)F

DOS

IR

Vibrations