Geometry & MOs

Info

ID:	249417
PubChem CID:	103089311
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-157.95
Dipole, Da:	2.54
IP(EA), eV:	-8.47(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-methylanilino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCSC)NCC1CCCO1

DOS

IR

Vibrations