Geometry & MOs

Info

ID:	401280
PubChem CID:	135050776
Reduced:	SN2O2F3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	275.136887
ΔH_f, kcal/mol:	-161.03
Dipole, Da:	2.49
IP(EA), eV:	-9.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(methoxycarbonylamino)propyl]-1,3-dioxolan-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CS/N=C(\C#N)/C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations