Geometry & MOs

Info

ID:	249420
PubChem CID:	103089320
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	2.75
IP(EA), eV:	-8.61(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methylpropylamino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

COC(=O)C(CCCSC)NC1=CC=CC=C1Br

DOS

IR

Vibrations