Geometry & MOs

Info

ID:	32826
PubChem CID:	7848715
Reduced:	FSN2O5C18H25 (1)
Stoich.:	ABC2D5E18F25 (1)
Weight, g/mol:	408.115521
ΔH_f, kcal/mol:	-252.73
Dipole, Da:	4.63
IP(EA), eV:	-9.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations