Geometry & MOs

Info

ID:

1379

PubChem CID:

4270

Reduced:

N4O13C46H62 (1)

Stoich.:

A4B13C46D62 (1)

Weight, g/mol:

878.431338

ΔHf, kcal/mol:

-455.11

Dipole, Da:

8.43

IP(EA), eV:

 -8.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[formyl(methyl)amino]-11-(16-hydroxy-22-methoxy-10,11,21-trimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-10-methoxy-5,9-dimethyl-6-oxoundec-1-en-4-yl] acetate

Drug info:

PubChemData

Smile

CC1C(CC=CC2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)C=CCC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC(=O)C)OC)O)C)C)OC

DOS

IR

Vibrations