Geometry & MOs

Info

ID:	249424
PubChem CID:	103089353
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	3.16
IP(EA), eV:	-8.48(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(butan-2-ylamino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCSC)NC1CCCC1

DOS

IR

Vibrations