Geometry & MOs

Info

ID:	381389
PubChem CID:	134972107
Reduced:	ClP2O6C24H31 (1)
Stoich.:	AB2C6D24E31 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-351.34
Dipole, Da:	3.63
IP(EA), eV:	-9.15(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-2-phenyloxolane-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1(COP(=O)(OC1)/C=C\2/C3C=CC=CC3C(C4=CC=CC=C42)P(=O)(O)OC(C)(C)CCl)C

DOS

IR

Vibrations