Geometry & MOs

Info

ID:	35831
PubChem CID:	7980381
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	393.00343
ΔH_f, kcal/mol:	-182.89
Dipole, Da:	7.5
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations