Geometry & MOs

Info

ID:	317580
PubChem CID:	126643779
Reduced:	SF3O3N6H29C31 (1)
Stoich.:	AB3C3D6E29F31 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-173.07
Dipole, Da:	2.94
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(hydroxyamino)-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations