Geometry & MOs

Info

ID:	147771
PubChem CID:	53787429
Reduced:	S3O4N8H12C13 (1)
Stoich.:	A3B4C8D12E13 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	24.35
Dipole, Da:	4.37
IP(EA), eV:	-9.47(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-benzyl-4-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4

DOS

IR

Vibrations