Geometry & MOs

Info

ID:	405331
PubChem CID:	135073494
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	313.053942
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	3.5
IP(EA), eV:	-8.94(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(1-hydroxycyclobutyl)but-3-ynyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C=CC1(CCCCC1C(=C)COC/C=C/C2=CC=CC=C2)O

DOS

IR

Vibrations