Geometry & MOs

Info

ID:	397967
PubChem CID:	135031167
Reduced:	ClNOH18C21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	1042.377571
ΔH_f, kcal/mol:	12.29
Dipole, Da:	3.15
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-tribenzoyloxy-6-[(3R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1CC2N(C1)C(C3=C(O2)C=CC4=CC=CC=C43)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations