Geometry & MOs

Info

ID:	217387
PubChem CID:	85087741
Reduced:	NSF2O3H11C18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	359.116901
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	2.27
IP(EA), eV:	-9.48(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-fluoro-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C2C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)F)F

DOS

IR

Vibrations