Geometry & MOs

Info

ID:	32827
PubChem CID:	7848735
Reduced:	FSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	422.131171
ΔH_f, kcal/mol:	-208.73
Dipole, Da:	4.21
IP(EA), eV:	-9.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations