Geometry & MOs

Info

ID:	219666
PubChem CID:	85164407
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	548.17412
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	6.46
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-2-[[2-(furan-2-yl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-methoxyoxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCC(CCN4C(=O)OC(C)(C)C)(C)C)C

DOS

IR

Vibrations