Geometry & MOs

Info

ID:	402026
PubChem CID:	135053910
Reduced:	S2F3O3H17C24 (1)
Stoich.:	A2B3C3D17E24 (1)
Weight, g/mol:	314.151809
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	7.87
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4S)-4-[(1R)-1-acetyloxycyclohex-2-en-1-yl]-4-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(\C2=CC3=CC=CC=C3C=C2)/C4=CSC=C4)/C(F)(F)F

DOS

IR

Vibrations