Geometry & MOs

Info

ID:

184280

PubChem CID:

77139698

Reduced:

O2N3C11H18 (2)

Stoich.:

A2B3C11D18 (2)

Weight, g/mol:

1104.571639

ΔHf, kcal/mol:

-170.51

Dipole, Da:

3.63

IP(EA), eV:

 -8.95(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[10-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C(CCCN=C(N)N)NC(=O)C

DOS

IR

Vibrations