Geometry & MOs

Info

ID:	249425
PubChem CID:	103089363
Reduced:	NSO2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-115.76
Dipole, Da:	3.39
IP(EA), eV:	-8.6(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methylsulfanyl-2-(prop-2-enylamino)pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations