Geometry & MOs

Info

ID:

1377

PubChem CID:

4268

Reduced:

N4O16C51H72 (1)

Stoich.:

A4B16C51D72 (1)

Weight, g/mol:

996.494332

ΔHf, kcal/mol:

-591.21

Dipole, Da:

15.83

IP(EA), eV:

 -9.12(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-1-[formyl(methyl)amino]-11-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-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-3,5,9-trimethylundec-1-en-6-yl] 2-methoxypropanoate

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(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(C)OC)OC)O)C)OC)OC

DOS

IR

Vibrations