Geometry & MOs

Info

ID:	54033
PubChem CID:	14719631
Reduced:	N2S2O6C15H18 (1)
Stoich.:	A2B2C6D15E18 (1)
Weight, g/mol:	449.073145
ΔH_f, kcal/mol:	-189.25
Dipole, Da:	4.94
IP(EA), eV:	-9.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-[[2-[(4-phenylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)SCC(CC1=NOC2=CC=CC=C21)C(=O)NCCS(=O)(=O)O

DOS

IR

Vibrations