Geometry & MOs

Info

ID:	299527
PubChem CID:	117687251
Reduced:	SO6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	394.094705
ΔH_f, kcal/mol:	-292.41
Dipole, Da:	2.27
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-azido-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxopropanoyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC[C@@](CSC(C)(C)C)(C(=O)OC)C(=O)OC(=O)OCC

DOS

IR

Vibrations