Geometry & MOs

Info

ID:	18231
PubChem CID:	538998
Reduced:	O7C21H36 (1)
Stoich.:	A7B21C36 (1)
Weight, g/mol:	400.246104
ΔH_f, kcal/mol:	-373.22
Dipole, Da:	5.33
IP(EA), eV:	-9.7(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-methoxy-1-oxopropan-2-yl)oxolan-2-yl]propan-2-yl 2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(CC1CCC(O1)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC)O

DOS

IR

Vibrations