Geometry & MOs

Info

ID:	398268
PubChem CID:	135032585
Reduced:	SN4O6C15H20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	449.292994
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	5.83
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-[(1S)-1-hydroxyprop-2-enyl]hept-6-enoate

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)C)CS(=O)(=O)NN3CCOCC3

DOS

IR

Vibrations