Geometry & MOs

Info

ID:	297509
PubChem CID:	117619373
Reduced:	FSO2N5C18H18 (1)
Stoich.:	ABC2D5E18F18 (1)
Weight, g/mol:	326.220557
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	7.9
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[7-(2-ethoxycarbonylaziridin-1-yl)heptyl]aziridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)NC3=CC=CC=C3C#N)F

DOS

IR

Vibrations