Geometry & MOs

Info

ID:	403658
PubChem CID:	135061218
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	432.03948
ΔH_f, kcal/mol:	3.22
Dipole, Da:	4.56
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC=CC2=CN=CN21

DOS

IR

Vibrations