Geometry & MOs

Info

ID:	81593
PubChem CID:	49854898
Reduced:	FSN4O4H21C28 (1)
Stoich.:	ABC4D4E21F28 (1)
Weight, g/mol:	381.158766
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	11.92
IP(EA), eV:	-8.86(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-oxo-3-[[(2S)-4-oxo-4-phenylmethoxy-2-propan-2-ylbutanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C=CCCOC1=CC(=C(C=C1)C(=O)NC2=NC=C(S2)F)OC3=CC=C(C=C3)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations