Geometry & MOs

Info

ID:	135682
PubChem CID:	51914926
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	442.210387
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	8.18
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CNC1=CC=CC=C1C(=O)OCC(=O)N([C@H]2CS(=O)(=O)C=C2)C3=CC=CC=C3

DOS

IR

Vibrations