Geometry & MOs

Info

ID:	336390
PubChem CID:	127255397
Reduced:	SCl2N3O3C13H21 (1)
Stoich.:	AB2C3D3E13F21 (1)
Weight, g/mol:	492.153266
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	5.39
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-benzyl 1-O-(2-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate

Drug info:

PubChemData

Smile

C[N+]1(CCCC1)CC2=C(N3[C@H]([C@@H](C3=O)N)SC2)C(=O)O.Cl.[Cl-]

DOS

IR

Vibrations