Geometry & MOs

Info

ID:	185367
PubChem CID:	77289414
Reduced:	N2C33H52 (1)
Stoich.:	A2B33C52 (1)
Weight, g/mol:	546.261754
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	0.93
IP(EA), eV:	-8.13(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dihydroxy-4-prop-2-enoxy-6-(trityloxymethyl)oxan-2-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C5=C(C(=CC=C5)N)N)C)C

DOS

IR

Vibrations