Geometry & MOs

Info

ID:

215043

PubChem CID:

85084048

Reduced:

O8N11C29H47 (1)

Stoich.:

A8B11C29D47 (1)

Weight, g/mol:

677.413897

ΔHf, kcal/mol:

-331.12

Dipole, Da:

7.15

IP(EA), eV:

 -9.17(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-but-2-en-2-yl-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations