Geometry & MOs

Info

ID:	225400
PubChem CID:	85756690
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-17.03
Dipole, Da:	2.04
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NOC(=C3)CO

DOS

IR

Vibrations