Geometry & MOs

Info

ID:

190461

PubChem CID:

78008500

Reduced:

NO4H21C22 (1)

Stoich.:

AB4C21D22 (1)

Weight, g/mol:

694.283671

ΔHf, kcal/mol:

-114.78

Dipole, Da:

2.01

IP(EA), eV:

 -9.02(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-hydroxyphenyl)methyl 3-[2-(3,4-dihydroxy-6-phenylmethoxycarbonyl-5-propan-2-yloxyoxan-2-yl)oxyethoxy]-4,5-dihydroxy-6-propan-2-yloxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=C(C=N2)OC3CCC4=CC=CC=C34)C5C(=O)CC(=O)O5

DOS

IR

Vibrations