Geometry & MOs

Info

ID:	299528
PubChem CID:	117687262
Reduced:	SN4O6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	5.3
IP(EA), eV:	-8.98(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(tert-butylsulfanylmethyl)-2-carbonazidoylbutanoate

Drug info:

PubChemData

Smile

C[C@](CSC(C)(C)C)(C(=O)N=[N+]=[N-])C(=O)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations