Geometry & MOs

Info

ID:

164529

PubChem CID:

74412634

Reduced:

O3N9C25H33 (1)

Stoich.:

A3B9C25D33 (1)

Weight, g/mol:

1164.571639

ΔHf, kcal/mol:

-42.11

Dipole, Da:

2.26

IP(EA), eV:

 -8.15(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2,20-dihydroxy-8-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,15-dimethyl-14,16,22-trioxahexacyclo[13.5.2.01,17.04,13.05,10.013,17]docosan-20-yl]ethyl 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C)C)C2=NC=CC(=C2)N3C(=NC(=N3)NC4=CC=C(C=C4)NC(=O)OC(C)C)N

DOS

IR

Vibrations