Geometry & MOs

Info

ID:	54027
PubChem CID:	14719615
Reduced:	NaN2S2O6C23H27 (1)
Stoich.:	AB2C2D6E23F27 (1)
Weight, g/mol:	502.144358
ΔH_f, kcal/mol:	-264.37
Dipole, Da:	8.03
IP(EA), eV:	-9.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(acetylsulfanylmethyl)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]propanoyl]amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=O)SCC(CC1CN(CCO1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations