Geometry & MOs

Info

ID:	217748
PubChem CID:	85088320
Reduced:	SiO3C24H30 (1)
Stoich.:	AB3C24D30 (1)
Weight, g/mol:	394.233037
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	3.57
IP(EA), eV:	-9.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-benzhydryl-6a-hexan-2-ylsulfanyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

Drug info:

PubChemData

Smile

CC1(CC(C(=O)C1CC=C)[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3)OCCO

DOS

IR

Vibrations