Geometry & MOs

Info

ID:	149694
PubChem CID:	53789368
Reduced:	SN4O6C22H26 (1)
Stoich.:	AB4C6D22E26 (1)
Weight, g/mol:	534.011296
ΔH_f, kcal/mol:	-202.5
Dipole, Da:	11.24
IP(EA), eV:	-9.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyloxy-3-naphthalen-2-ylsulfonyloxybenzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SN3C(=O)C(N(C3=O)C)(C)C

DOS

IR

Vibrations