Geometry & MOs

Info

ID:	393072
PubChem CID:	135019231
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	454.254166
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	5.28
IP(EA), eV:	-9.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-5-[(Z,1R)-1-phenylsulfanylnon-2-enyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC(=O)CC(O2)CCCOCC3=CC=CC=C3

DOS

IR

Vibrations