Geometry & MOs

Info

ID:	403659
PubChem CID:	135061219
Reduced:	BrSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	432.03948
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	8.13
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3,3-dimethyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan

Drug info:

PubChemData

Smile

CC1(C2[C@H](CC=C2[C@H](O1)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations