Geometry & MOs

Info

ID:	292051
PubChem CID:	114159768
Reduced:	O2S2F3N3C8H8 (1)
Stoich.:	A2B2C3D3E8F8 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	6.07
IP(EA), eV:	-9.27(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(pent-4-ynylcarbamoyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1(C(F)(F)F)NC2=NN=C(S2)SCC(=O)O

DOS

IR

Vibrations