Geometry & MOs

Info

ID:	249416
PubChem CID:	103089295
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-80.47
Dipole, Da:	2.08
IP(EA), eV:	-8.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methylsulfanyl-2-(oxolan-2-ylmethylamino)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCSC)NC1=CC=CC=C1

DOS

IR

Vibrations