Geometry & MOs

Info

ID:	425310
PubChem CID:	135125899
Reduced:	ClFSN2O2C21H22 (1)
Stoich.:	ABCD2E2F21G22 (1)
Weight, g/mol:	286.101665
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	4.36
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(5,5-dimethyl-1,3-dioxan-2-yl)-2,3-difluorobenzoate

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=CC3=CC=C(C=C3)Cl)F)N)C

DOS

IR

Vibrations