Geometry & MOs

Info

ID:	149987
PubChem CID:	53789670
Reduced:	SN2O5C30H56 (1)
Stoich.:	AB2C5D30E56 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-259.53
Dipole, Da:	6.05
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-amino-2-[(3-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCC(CCCCCCCCCCCCCCCOC1=NC(=NC=C1)SC)OC(C)COCCOCCO

DOS

IR

Vibrations