Geometry & MOs

Info

ID:	299543
PubChem CID:	117687427
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-103.58
Dipole, Da:	5.29
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(tert-butylsulfanylmethyl)-2-carbonazidoyl-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCC(CSC(C)(C)C)(C(=O)N=[N+]=[N-])C(=O)OCC

DOS

IR

Vibrations