Geometry & MOs

Info

ID:	381231
PubChem CID:	134971898
Reduced:	O5H34C38 (1)
Stoich.:	A5B34C38 (1)
Weight, g/mol:	536.256274
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	2.78
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(4R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl] butanoate

Drug info:

PubChemData

Smile

CC1(O[C@H](C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C

DOS

IR

Vibrations