Geometry & MOs

Info

ID:	404722
PubChem CID:	135069964
Reduced:	FN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	465.162137
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	6.2
IP(EA), eV:	-8.92(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-[4-[benzenesulfonyl(fluoro)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=N1)NC(=O)[C@H]([C@H](C2=CC(=CC=C2)OC)F)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations