Geometry & MOs

Info

ID:	299529
PubChem CID:	117687266
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	4.76
IP(EA), eV:	-8.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (2S)-3-azido-2-(tert-butylsulfanylmethyl)-2-methyl-3-oxopropanoate

Drug info:

PubChemData

Smile

CC[C@](CSC(C)(C)C)(C(=O)N=[N+]=[N-])C(=O)OC

DOS

IR

Vibrations