Geometry & MOs

Info

ID:	249418
PubChem CID:	103089313
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	276.187149
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	3.51
IP(EA), eV:	-8.4(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(diethylamino)ethylamino]-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(CCCSC)C(=O)OC

DOS

IR

Vibrations