Geometry & MOs

Info

ID:	394057
PubChem CID:	135022259
Reduced:	SO2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	3.03
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(1R,2S,5S)-2-methyl-2-(2-phenylmethoxyethyl)-5-propan-2-ylcyclopentyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O/C(=C\C1=CC=CC=C1)/C(CC=C)SC

DOS

IR

Vibrations