Geometry & MOs

Info

ID:	12131
PubChem CID:	131116
Reduced:	ClNS2O5C23H26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	495.094093
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	9.2
IP(EA), eV:	-8.81(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

DOS

IR

Vibrations