Geometry & MOs

Info

ID:	202484
PubChem CID:	79679343
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	298.087495
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	5.18
IP(EA), eV:	-9.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)sulfonyl-2-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCC1(C#N)S(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations