Geometry & MOs

Info

ID:	317368
PubChem CID:	126636881
Reduced:	ClFSO3C23H30 (1)
Stoich.:	ABCD3E23F30 (1)
Weight, g/mol:	484.221422
ΔH_f, kcal/mol:	-196.7
Dipole, Da:	2.21
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-chloro-2-fluoro-4-[[(3S,7R)-1,3,5,7-tetramethylcyclooctyl]methoxy]phenyl]sulfanylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C[C@@H]2CC[C@@H](C2)C1)COC3=CC(=C(C=C3Cl)SC4CCCC4C(=O)OC)F

DOS

IR

Vibrations