Geometry & MOs

Info

ID:	249419
PubChem CID:	103089315
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	2.51
IP(EA), eV:	-8.38(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromoanilino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(CCCSC)C(=O)OC

DOS

IR

Vibrations