Geometry & MOs

Info

ID:	217564
PubChem CID:	85088006
Reduced:	IO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	376.03578
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	2.03
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(4-iodophenyl)-2-methyl-1,3-oxathiane

Drug info:

PubChemData

Smile

CC(COC(=O)C(C)COCC1=CC=CC=C1)CI

DOS

IR

Vibrations