Geometry & MOs

Info

ID:	301922
PubChem CID:	123100676
Reduced:	NSO5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	4.54
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(benzylamino)-2-oxoethyl]sulfinylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CS(=O)CC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations