Geometry & MOs

Info

ID:	249180
PubChem CID:	103087475
Reduced:	NS2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	28.32
Dipole, Da:	4.45
IP(EA), eV:	-7.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-(4-methylsulfanylbutylamino)pentanoate

Drug info:

PubChemData

Smile

CSCCCCNC1=CC2=C(C=C1)SC=C2

DOS

IR

Vibrations