Geometry & MOs

Info

ID:	403631
PubChem CID:	135061079
Reduced:	BrOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	332.144616
ΔH_f, kcal/mol:	26.36
Dipole, Da:	2.51
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-4-(benzenesulfonyl)-3,3-dimethyl-1-(2-methylprop-1-enyl)-1,3a,4,5-tetrahydrocyclopenta[c]furan

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations