Geometry & MOs

Info

ID:	176996
PubChem CID:	76123360
Reduced:	S3O7N10H18C21 (1)
Stoich.:	A3B7C10D18E21 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-29.41
Dipole, Da:	12.92
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxyamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl] acetate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC3=CC=CC=C3)C4=NSC(=N4)N)C(=O)O)CSC5=NN=NN5CC(=O)O

DOS

IR

Vibrations