Geometry & MOs

Info

ID:	249549
PubChem CID:	103090409
Reduced:	NSO2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	295.091201
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	4.57
IP(EA), eV:	-8.55(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-(4-methylsulfanylbutyl)amino]acetic acid

Drug info:

PubChemData

Smile

CSCCCCNC1CCC(CC1)C(=O)O

DOS

IR

Vibrations