Geometry & MOs

Info

ID:	381245
PubChem CID:	134971919
Reduced:	Cl2O2H28C31 (1)
Stoich.:	A2B2C28D31 (1)
Weight, g/mol:	323.086115
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	2.16
IP(EA), eV:	-9.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R)-4-methylsulfonyloxy-4-[(4R)-2,2,3-trimethyl-1,3-thiazolidin-4-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(O[C@H](C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)Cl)C

DOS

IR

Vibrations