Geometry & MOs

Info

ID:	299542
PubChem CID:	117687423
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	2.98
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(tert-butylsulfanylmethyl)-2-carbonazidoylpentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations