Geometry & MOs

Info

ID:	43615
PubChem CID:	10321548
Reduced:	ClO9H19C21 (1)
Stoich.:	AB9C19D21 (1)
Weight, g/mol:	450.099392
ΔH_f, kcal/mol:	-327.61
Dipole, Da:	7.42
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(2S)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]-5-fluoro-4-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl

DOS

IR

Vibrations