Geometry & MOs

Info

ID:	376424
PubChem CID:	134222437
Reduced:	O6C15H26 (1)
Stoich.:	A6B15C26 (1)
Weight, g/mol:	388.188589
ΔH_f, kcal/mol:	-313.55
Dipole, Da:	5.13
IP(EA), eV:	-10.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-2-tert-butyl-4-(4-methyl-4-phenylmethoxypent-2-ynyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1OC(=O)[C@@](O1)(CCCC(C)(C)O)CC(=O)O

DOS

IR

Vibrations