Geometry & MOs

Info

ID:

1378

PubChem CID:

4269

Reduced:

N4O17C50H72 (1)

Stoich.:

A4B17C50D72 (1)

Weight, g/mol:

1000.489247

ΔHf, kcal/mol:

-664.53

Dipole, Da:

7.61

IP(EA), eV:

 -9.5(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-1-[formyl(methyl)amino]-11-(15-hydroxy-21-methoxy-9,20-dimethyl-6,8,11,17-tetraoxo-3,18,26-trioxa-7,28,29-triazatricyclo[23.2.1.12,5]nonacosa-1(27),2(29),4,12,23,25(28)-hexaen-19-yl)-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate

Drug info:

PubChemData

Smile

CC1CC(=O)C=CCC(CC(=O)OC(C(C(CC=CC2=NC(=CO2)C3=NC(=CO3)C(=O)NC1=O)OC)C)CC(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O

DOS

IR

Vibrations