Geometry & MOs

Info

ID:	436661
PubChem CID:	135206819
Reduced:	FN4O4C39H47 (1)
Stoich.:	AB4C4D39E47 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-158.32
Dipole, Da:	6.93
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)NCC2=CC=CC=N2)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations