Geometry & MOs

Info

ID:	249413
PubChem CID:	103089262
Reduced:	NSO2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	3.35
IP(EA), eV:	-8.63(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methylsulfanyl-2-(propylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)NC(CCCSC)C(=O)OC

DOS

IR

Vibrations