Geometry & MOs

Info

ID:	195224
PubChem CID:	78658739
Reduced:	OS2F3N4C15H17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	402.02885
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	3.55
IP(EA), eV:	-8.91(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(2-chloro-5-nitrobenzoyl)oxyacetyl]thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)SC1=NN=C(S1)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations