Geometry & MOs

Info

ID:

46717

PubChem CID:

10526598

Reduced:

N3O3C26H27 (1)

Stoich.:

A3B3C26D27 (1)

Weight, g/mol:

430.214409

ΔHf, kcal/mol:

-35.19

Dipole, Da:

3.97

IP(EA), eV:

 -8.78(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R,4S,5S,8R,9R,10S,11S,12R)-10-(hydroxymethyl)-14,21-dimethoxy-3-octacyclo[10.10.1.15,8.02,11.03,10.04,9.013,22.015,20]tetracosa-6,13,15,17,19,21-hexaenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1CN2C=NC3=CC=CC=C32)C)C(=O)C)C4=CC=C(C=C4)OC)C(=O)C

DOS

IR

Vibrations