Geometry & MOs

Info

ID:	261587
PubChem CID:	103241518
Reduced:	SN2O5C12H20 (1)
Stoich.:	AB2C5D12E20 (1)
Weight, g/mol:	344.04054
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	2.23
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CCCNCC1=C(C=CO1)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations