Geometry & MOs

Info

ID:	299545
PubChem CID:	117687433
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	292.09806
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	5.38
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methoxycarbonyl 1-O-methyl 2-(tert-butylsulfanylmethyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations