Geometry & MOs

Info

ID:

214611

PubChem CID:

85083275

Reduced:

O8C33H34 (1)

Stoich.:

A8B33C34 (1)

Weight, g/mol:

558.362865

ΔHf, kcal/mol:

-207.3

Dipole, Da:

5.6

IP(EA), eV:

 -8.31(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyanomethyl)-3-[3-(2-ethyl-3,4,10,11,13-pentahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl)propyl]urea

Drug info:

PubChemData

Smile

CC=CC(C1=CC(=C(C=C1)OC)OC)C2=C(C(=CC(=C2)C=CC(=O)CC(=O)C=CC3=CC(=C(C=C3)O)OC)OC)O

DOS

IR

Vibrations